N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide

C16H20N4OS — CID 47071734

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESCc1nc(CCNC(=O)N2CCCC2c2ccccn2)cs1
InChIInChI=1S/C16H20N4OS/c1-12-19-13(11-22-12)7-9-18-16(21)20-10-4-6-15(20)14-5-2-3-8-17-14/h2-3,5,8,11,15H,4,6-7,9-10H2,1H3,(H,18,21)
InChIKeyNEKOXLXFFADGRF-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide (PubChem CID 47071734) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
PubChem CID47071734
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
SMILESCc1nc(CCNC(=O)N2CCCC2c2ccccn2)cs1
InChIInChI=1S/C16H20N4OS/c1-12-19-13(11-22-12)7-9-18-16(21)20-10-4-6-15(20)14-5-2-3-8-17-14/h2-3,5,8,11,15H,4,6-7,9-10H2,1H3,(H,18,21)
InChIKeyNEKOXLXFFADGRF-UHFFFAOYSA-N
XLogP2.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 125446707
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95835363
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 94052563
3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71915673
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994759
1-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106038391
1-(3-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554507
(2S)-N-(oxan-4-ylmethyl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126442149

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide (CID 47071734) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide is Cc1nc(CCNC(=O)N2CCCC2c2ccccn2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is NEKOXLXFFADGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-19-13(11-22-12)7-9-18-16(21)20-10-4-6-15(20)14-5-2-3-8-17-14/h2-3,5,8,11,15H,4,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 47071734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).