(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol

C168H237N23O14S3 — CID 158160359

IUPAC(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESC=C(C1CCCC1)C(C)(C)C.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.CC(C)(C)[C@H](O)C1CCCC1.CC[C@H](CO)NC(C)(C)C.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1
InChIInChI=1S/3C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2.C11H20.C10H20O.C8H19NO/c1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;2*1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9;1-9(11(2,3)4)10-7-5-6-8-10;1-10(2,3)9(11)8-6-4-5-7-8;1-5-7(6-10)9-8(2,3)4/h3*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3;10H,1,5-8H2,2-4H3;8-9,11H,4-7H2,1-3H3;7,9-10H,5-6H2,1-4H3/t;;;;;;;;;;;9-;7-/m...........11/s1
InChIKeyFWERYZSPYUOTSG-CTAXGJRYSA-N
MW2899.09 g/mol
LogP32.64
Rot. Bonds25

About (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol

(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 158160359) has the molecular formula C168H237N23O14S3 and a molecular weight of 2899.09 g/mol. Its IUPAC name is (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID158160359
Molecular FormulaC168H237N23O14S3
Molecular Weight2899.09 g/mol
Exact Mass2896.77
IUPAC Name(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESC=C(C1CCCC1)C(C)(C)C.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.CC(C)(C)[C@H](O)C1CCCC1.CC[C@H](CO)NC(C)(C)C.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1
InChIInChI=1S/3C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2.C11H20.C10H20O.C8H19NO/c1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;2*1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9;1-9(11(2,3)4)10-7-5-6-8-10;1-10(2,3)9(11)8-6-4-5-7-8;1-5-7(6-10)9-8(2,3)4/h3*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3;10H,1,5-8H2,2-4H3;8-9,11H,4-7H2,1-3H3;7,9-10H,5-6H2,1-4H3/t;;;;;;;;;;;9-;7-/m...........11/s1
InChIKeyFWERYZSPYUOTSG-CTAXGJRYSA-N
XLogP32.64
TPSA556.83 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds25
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002899.09
LogP ≤ 532.64
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol with MolForge

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Related Compounds

[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 91526451
(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;N-cyclopentyl-2-methylpropane-2-sulfonamide;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;methyl 2,2-dimethylpropanoate;propan-2-yl 2,2-dimethylpropanoate
CID 157145658
2,2-Dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyrimidin-5-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-5-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 158040561
2,2-Dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 158589648
(1S)-1-cyclopentyl-2-methylpropan-1-ol;2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3-methylbut-1-en-2-ylcyclopentane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol;2-methyl-1,1-dipyridin-3-ylpropan-1-ol;2-methyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2-methyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2-methyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2-methyl-1-pyridin-3-ylpropan-1-ol;bis(2-methyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2-methyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2-methyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol;(2R)-2-(propan-2-ylamino)butan-1-ol
CID 159914958
N-tert-butylpentan-3-amine;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;1-cyclopentyl-2,2-dimethylpropan-1-one;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-3-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 160405712
(2S,3S,4S,5S)-2-[4-amino-5-(1H-imidazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3S,4R,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-azido-3,4-dimethyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-azido-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol;(2S,3S,4S,5S)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-(hydroxymethyl)-4-methyloxolan-3-ol;[(2S,3R,4S,5S)-5-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 161062087
[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol;[(2R,3S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-fluoro-4,4-dimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4,4-trimethyloxolan-2-yl]methanol;[(2S,3R,4R,5S)-5-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol;[(2S,3S,5R)-5-[4-amino-5-(2H-triazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3,4,4-trimethyloxolan-2-yl]methanol
CID 161148814
1-Methyl-1-propan-2-ylcyclohexane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;propan-2-ylcyclopentane;4-propan-2-yloxane;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;3-[(4-propan-2-ylphenyl)methyl]pyrrolidine;2-propan-2-ylpyrazine;4-(6-propan-2-ylpyrazin-2-yl)morpholine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 161863817

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol (CID 158160359) is (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol is C=C(C1CCCC1)C(C)(C)C.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.CC(C)(C)[C@H](O)C1CCCC1.CC[C@H](CO)NC(C)(C)C.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1.
What is the InChIKey of (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is FWERYZSPYUOTSG-CTAXGJRYSA-N. The full InChI is InChI=1S/3C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2.C11H20.C10H20O.C8H19NO/c1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;2*1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9;1-9(11(2,3)4)10-7-5-6-8-10;1-10(2,3)9(11)8-6-4-5-7-8;1-5-7(6-10)9-8(2,3)4/h3*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3;10H,1,5-8H2,2-4H3;8-9,11H,4-7H2,1-3H3;7,9-10H,5-6H2,1-4H3/t;;;;;;;;;;;9-;7-/m...........11/s1.
What are the key properties of (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol?
(2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 2899.09 g/mol, XLogP of 32.64, 25 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylamino)butan-1-ol;(1R)-1-cyclopentyl-2,2-dimethylpropan-1-ol;2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;3,3-dimethylbut-1-en-2-ylcyclopentane;2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 158160359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).