methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

C91H137N13O2S3 — CID 160867340

IUPACmethane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESC.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1nccs1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1
InChIInChI=1S/C14H22N2.C13H19NO.C12H18N2O.3C8H11N.C7H10N2.2C7H11NS.C6H9NS.CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6;/h6-8,12H,3-5,9-11H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3;1H4
InChIKeySLHGHJNTGMJQBC-UHFFFAOYSA-N
MW1541.39 g/mol
LogP24.60
Rot. Bonds14

About methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (PubChem CID 160867340) has the molecular formula C91H137N13O2S3 and a molecular weight of 1541.39 g/mol. Its IUPAC name is methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namemethane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
PubChem CID160867340
Molecular FormulaC91H137N13O2S3
Molecular Weight1541.39 g/mol
Exact Mass1540.02
IUPAC Namemethane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESC.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1nccs1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1
InChIInChI=1S/C14H22N2.C13H19NO.C12H18N2O.3C8H11N.C7H10N2.2C7H11NS.C6H9NS.CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6;/h6-8,12H,3-5,9-11H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3;1H4
InChIKeySLHGHJNTGMJQBC-UHFFFAOYSA-N
XLogP24.60
TPSA166.73 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001541.39
LogP ≤ 524.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-Pyridin-2-yl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579611
2-Chloro-5-propan-2-ylpyridine;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-3-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 157637066
Methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-(oxan-4-yl)-6-propan-2-ylpyridazin-1-ium;2-piperidin-1-yl-4-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 158050333
2,4-Dimethyl-6-propan-2-ylpyridine;3-ethyl-1-methylpyrazole;5-fluoro-2-propan-2-ylpyridine;methane;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159421158
2-Chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;1-(5-propan-2-yl-2-pyridinyl)piperazine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 160025049
Methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-(2-propan-2-ylphenyl)piperidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 160595290
(3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
CID 161299578
Methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-(2-propan-2-ylphenyl)morpholine;1-(2-propan-2-ylphenyl)piperidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 161953937
4-[[4-[4-(Pyridin-2-ylmethyl)piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 16392806
4,4-dimethyl-N-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)-7-pyrrolidin-1-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 11512251
4-[4-[1-(Benzenesulfonyl)-3-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine
CID 59239666
N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
CID 59507574

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (CID 160867340) is methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is C.CC(C)c1cccc(CN2CCCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1nccs1.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.
What is the InChIKey of methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The InChIKey is SLHGHJNTGMJQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C13H19NO.C12H18N2O.3C8H11N.C7H10N2.2C7H11NS.C6H9NS.CH4/c1-12(2)14-8-6-7-13(15-14)11-16-9-4-3-5-10-16;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-7-3-4-8-6;/h6-8,12H,3-5,9-11H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3;2*4-5H,1-3H3;3-5H,1-2H3;1H4.
What are the key properties of methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole has a molecular weight of 1541.39 g/mol, XLogP of 24.60, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160867340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).