methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

C87H157N15S5 — CID 160905151

IUPACmethane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1ccncn1.CC(C)c1ccns1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.Cc1csc(C(C)C)n1
InChIInChI=1S/2C8H11N.4C7H10N2.C7H11NS.4C6H9NS.12CH4/c1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;;;;;;;;;;;;/h2*3-7H,1-2H3;4*3-6H,1-2H3;4-5H,1-3H3;4*3-5H,1-2H3;12*1H4
InChIKeySQARJTXEQXCIAV-UHFFFAOYSA-N
MW1573.65 g/mol
LogP30.08
Rot. Bonds11

About methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 160905151) has the molecular formula C87H157N15S5 and a molecular weight of 1573.65 g/mol. Its IUPAC name is methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namemethane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID160905151
Molecular FormulaC87H157N15S5
Molecular Weight1573.65 g/mol
Exact Mass1572.13
IUPAC Namemethane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1ccncn1.CC(C)c1ccns1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.Cc1csc(C(C)C)n1
InChIInChI=1S/2C8H11N.4C7H10N2.C7H11NS.4C6H9NS.12CH4/c1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;;;;;;;;;;;;/h2*3-7H,1-2H3;4*3-6H,1-2H3;4-5H,1-3H3;4*3-5H,1-2H3;12*1H4
InChIKeySQARJTXEQXCIAV-UHFFFAOYSA-N
XLogP30.08
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.65
LogP ≤ 530.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Related Compounds

3-Chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 159189621
6-Tert-butyl-3-(4,5-dimethylthiophen-2-yl)-2-propan-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-ethyl-6-methyl-3-thiophen-2-ylimidazo[4,5-b]pyridine;2-ethyl-3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-3-(4-methylthiophen-2-yl)imidazo[4,5-b]pyridine;2-methyl-3-(5-methylthiophen-2-yl)-6-phenylimidazo[4,5-b]pyridine;6-methyl-3-(3-phenylphenyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine;3-(5-methylthiophen-2-yl)-6-propan-2-ylimidazo[4,5-b]pyridine;6-phenyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 161531223
5-Cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,2,2,3,3,4,4,4-octafluorobutyl)imidazol-2-yl]pyridine;3-ethylsulfonyl-2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-5-pyridin-2-ylpyridine;2-[5-ethylsulfonyl-6-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[5-(1,2,2,3,3,3-hexafluoropropyl)-1-methylimidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,2,2,3,3,4,4,4-octafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine
CID 163933794
2-[9,10,12,21,22,23,24-Heptakis([1,3]thiazolo[4,5-b]pyridin-2-yl)-3,15-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14(19),15,17,21,23-dodecaen-11-yl]-[1,3]thiazolo[4,5-b]pyridine
CID 58978768
2-[3-([1,3]Thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine
CID 59866418
4,5-Dimethyl-2-[4-[4-[(5-pyridin-2-ylthiophen-2-yl)methyl]piperazin-1-yl]-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-10-yl]-1,3-thiazole
CID 69936428
2-[[2-(2,3-Difluorophenyl)imidazol-1-yl]methyl]-3-ethylimidazo[1,2-a]pyrimidine;2-[1-[(3-ethylimidazo[1,2-a]pyrimidin-2-yl)methyl]imidazol-2-yl]-1,3-thiazole
CID 70096885
12-Bromo-8,10-dimethyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(3-methyl-4-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(6-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 90047323
1-(2-Methyl-5-pyridin-4-yl-1,7-naphthyridin-8-yl)-2-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-1,2-bis(4-methyl-1,3-thiazol-2-yl)hydrazine
CID 90786105
1-[2-Methyl-5-(6-methyl-2-pyridinyl)-1,7-naphthyridin-8-yl]-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2-[2-methyl-5-(1,3-thiazol-2-yl)-1,7-naphthyridin-8-yl]hydrazine
CID 90806007
1-(2-Methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
CID 90891605
6-[1-[[2-[3-Amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-3-methylimidazol-4-yl]methyl]imidazol-2-yl]-2-butylsulfinyl-4-phenylthieno[2,3-b]pyridin-3-amine
CID 129281085

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (CID 160905151) is methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1ccncn1.CC(C)c1ccns1.CC(C)c1cnccn1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.Cc1csc(C(C)C)n1.
What is the InChIKey of methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is SQARJTXEQXCIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.4C7H10N2.C7H11NS.4C6H9NS.12CH4/c1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;;;;;;;;;;;;/h2*3-7H,1-2H3;4*3-6H,1-2H3;4-5H,1-3H3;4*3-5H,1-2H3;12*1H4.
What are the key properties of methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1573.65 g/mol, XLogP of 30.08, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160905151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).