4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C97H137ClF3N13O2S3 — CID 162105434

IUPAC4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)(C)c1ccncc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1F.CC(C)c1ccno1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/C9H13N.C8H10ClN.3C8H10FN.C8H13NS.2C8H11N.C7H12N2.C7H10S.2C6H9NO.C6H9NS/c1-9(2,3)8-4-6-10-7-5-8;2*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6/h4-7H,1-3H3;4*3-6H,1-2H3;5H,1-4H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyZFLHBBVIAULJAK-UHFFFAOYSA-N
MW1705.90 g/mol
LogP29.84
Rot. Bonds12

About 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 162105434) has the molecular formula C97H137ClF3N13O2S3 and a molecular weight of 1705.90 g/mol. Its IUPAC name is 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
PubChem CID162105434
Molecular FormulaC97H137ClF3N13O2S3
Molecular Weight1705.90 g/mol
Exact Mass1703.98
IUPAC Name4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)(C)c1ccncc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1F.CC(C)c1ccno1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/C9H13N.C8H10ClN.3C8H10FN.C8H13NS.2C8H11N.C7H12N2.C7H10S.2C6H9NO.C6H9NS/c1-9(2,3)8-4-6-10-7-5-8;2*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6/h4-7H,1-3H3;4*3-6H,1-2H3;5H,1-4H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyZFLHBBVIAULJAK-UHFFFAOYSA-N
XLogP29.84
TPSA185.89 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001705.90
LogP ≤ 529.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1-(2-chlorophenyl)piperidine;1-(3-tert-butylcyclohexyl)piperidine;3-tert-butyl-1-cyclohexylpiperidine;3-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;bis(4-tert-butyl-1-methylpyrazole);2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1-phenylpiperidine;4-tert-butyl-1-phenylpiperidine;4-tert-butyl-1H-pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157488957
3-Chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 158915656
2-tert-butyl-5-chloro-3H-indole;4-tert-butyl-2-chloropyridine;4-tert-butyl-7-chloroquinoline;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-5,6-difluoro-3H-indole;2-tert-butyl-6,7-difluoro-3H-indole;4-tert-butyl-7-fluoroquinoline;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butyl-3H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
CID 161847640
4-tert-butyl-1-(2-chlorophenyl)piperidine;1-(3-tert-butylcyclohexyl)piperidine;3-tert-butyl-1-cyclohexylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;bis(4-tert-butyl-1-methylpyrazole);2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1-phenylpiperidine;4-tert-butyl-1H-pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butylthiadiazole;2-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperidine
CID 167590327

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The IUPAC name of 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 162105434) is 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.
What is the SMILES notation for 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The canonical SMILES for 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)(C)c1ccncc1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1F.CC(C)c1ccno1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.Cc1nc(C)c(C(C)C)s1.
What is the InChIKey of 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The InChIKey is ZFLHBBVIAULJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H10ClN.3C8H10FN.C8H13NS.2C8H11N.C7H12N2.C7H10S.2C6H9NO.C6H9NS/c1-9(2,3)8-4-6-10-7-5-8;2*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-5-8(7)9;1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6/h4-7H,1-3H3;4*3-6H,1-2H3;5H,1-4H3;2*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3.
What are the key properties of 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 1705.90 g/mol, XLogP of 29.84, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyridine;3-chloro-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-4-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 162105434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).