N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide

C24H27N3OS — CID 22282337

IUPACN-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCC(C)(C)c1ccc(-c2nc(NC(=O)C3CCCC3)sc2-c2ccncc2)cc1
InChIInChI=1S/C24H27N3OS/c1-24(2,3)19-10-8-16(9-11-19)20-21(17-12-14-25-15-13-17)29-23(26-20)27-22(28)18-6-4-5-7-18/h8-15,18H,4-7H2,1-3H3,(H,26,27,28)
InChIKeySVXXWLUQBAYNGQ-UHFFFAOYSA-N
MW405.57 g/mol
LogP6.30
Rot. Bonds4

About N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide

N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 22282337) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID22282337
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCC(C)(C)c1ccc(-c2nc(NC(=O)C3CCCC3)sc2-c2ccncc2)cc1
InChIInChI=1S/C24H27N3OS/c1-24(2,3)19-10-8-16(9-11-19)20-21(17-12-14-25-15-13-17)29-23(26-20)27-22(28)18-6-4-5-7-18/h8-15,18H,4-7H2,1-3H3,(H,26,27,28)
InChIKeySVXXWLUQBAYNGQ-UHFFFAOYSA-N
XLogP6.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226600
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]cyclobutanecarboxamide
CID 1451435
1-ethyl-3-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]urea
CID 22993717
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid
CID 94970522
N-[4-methyl-5-[4-methyl-3-(pyridin-4-ylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 158014315
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226596
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 87301470

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 22282337) is N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide is CC(C)(C)c1ccc(-c2nc(NC(=O)C3CCCC3)sc2-c2ccncc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is SVXXWLUQBAYNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-24(2,3)19-10-8-16(9-11-19)20-21(17-12-14-25-15-13-17)29-23(26-20)27-22(28)18-6-4-5-7-18/h8-15,18H,4-7H2,1-3H3,(H,26,27,28).
What are the key properties of N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 405.57 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 22282337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).