N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide

C17H21N3OS — CID 110627595

IUPACN-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccccn2)n1)NCC1CCCC1
InChIInChI=1S/C17H21N3OS/c21-16(19-11-13-5-1-2-6-13)9-8-14-12-22-17(20-14)15-7-3-4-10-18-15/h3-4,7,10,12-13H,1-2,5-6,8-9,11H2,(H,19,21)
InChIKeyDVIALPXVKNLPGJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.44
Rot. Bonds6

About N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide

N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110627595) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110627595
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccccn2)n1)NCC1CCCC1
InChIInChI=1S/C17H21N3OS/c21-16(19-11-13-5-1-2-6-13)9-8-14-12-22-17(20-14)15-7-3-4-10-18-15/h3-4,7,10,12-13H,1-2,5-6,8-9,11H2,(H,19,21)
InChIKeyDVIALPXVKNLPGJ-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 119461328
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329763
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110633933
N-[(2-hydroxycyclopentyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111464114
N-(2,6-dimethylphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110418418
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423290
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110614636
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110329830

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (CID 110627595) is N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2ccccn2)n1)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is DVIALPXVKNLPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-16(19-11-13-5-1-2-6-13)9-8-14-12-22-17(20-14)15-7-3-4-10-18-15/h3-4,7,10,12-13H,1-2,5-6,8-9,11H2,(H,19,21).
What are the key properties of N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110627595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).