2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C21H24N4OS — CID 174544767

IUPAC2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCCc1cn(-c2sc(NC(=O)CC3CCCC3)nc2-c2ccccc2)cn1
InChIInChI=1S/C21H24N4OS/c1-2-17-13-25(14-22-17)20-19(16-10-4-3-5-11-16)24-21(27-20)23-18(26)12-15-8-6-7-9-15/h3-5,10-11,13-15H,2,6-9,12H2,1H3,(H,23,24,26)
InChIKeyYUUXSMOSPKRTOP-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.08
Rot. Bonds6

About 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 174544767) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID174544767
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCCc1cn(-c2sc(NC(=O)CC3CCCC3)nc2-c2ccccc2)cn1
InChIInChI=1S/C21H24N4OS/c1-2-17-13-25(14-22-17)20-19(16-10-4-3-5-11-16)24-21(27-20)23-18(26)12-15-8-6-7-9-15/h3-5,10-11,13-15H,2,6-9,12H2,1H3,(H,23,24,26)
InChIKeyYUUXSMOSPKRTOP-UHFFFAOYSA-N
XLogP5.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
2-(4-fluorophenyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 2660463
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039
2-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 49862200
2-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 49862239
3-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 49862241
[(1S,2S)-2-phenylcyclopropyl]-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862289
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide
CID 2539471
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
2-Phenyl-N-[4-(pyridin-4-YL)-1,3-thiazol-2-YL]acetamide
CID 16344190
3-imidazo[1,5-a]pyridin-6-yl-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24954066

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 174544767) is 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is CCc1cn(-c2sc(NC(=O)CC3CCCC3)nc2-c2ccccc2)cn1.
What is the InChIKey of 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is YUUXSMOSPKRTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-2-17-13-25(14-22-17)20-19(16-10-4-3-5-11-16)24-21(27-20)23-18(26)12-15-8-6-7-9-15/h3-5,10-11,13-15H,2,6-9,12H2,1H3,(H,23,24,26).
What are the key properties of 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 380.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-(4-ethylimidazol-1-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 174544767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).