N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C17H21N3OS — CID 134060937

IUPACN-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(-c2ccccn2)nc1C)C1CCCC1
InChIInChI=1S/C17H21N3OS/c1-3-20(13-8-4-5-9-13)17(21)15-12(2)19-16(22-15)14-10-6-7-11-18-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyBTMJVONHEDEMPT-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.92
Rot. Bonds4

About N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 134060937) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID134060937
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(-c2ccccn2)nc1C)C1CCCC1
InChIInChI=1S/C17H21N3OS/c1-3-20(13-8-4-5-9-13)17(21)15-12(2)19-16(22-15)14-10-6-7-11-18-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3
InChIKeyBTMJVONHEDEMPT-UHFFFAOYSA-N
XLogP3.92
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71934858
N-cyclopentyl-N-ethyl-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 71896501
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 39080704
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137515
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55920129
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-(furan-2-ylmethyl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18109857
N,4-dimethyl-2-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24515264
N-(2-tert-butylcyclohexyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55583530
4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71895393
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 94868020
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 134060937) is N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is CCN(C(=O)c1sc(-c2ccccn2)nc1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BTMJVONHEDEMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-20(13-8-4-5-9-13)17(21)15-12(2)19-16(22-15)14-10-6-7-11-18-14/h6-7,10-11,13H,3-5,8-9H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134060937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).