(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C18H22N4O2S — CID 52505416

IUPAC(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@H]1C(=O)Nc1nc(C)c(-c2ccccn2)s1
InChIInChI=1S/C18H22N4O2S/c1-3-7-15(23)22-11-6-9-14(22)17(24)21-18-20-12(2)16(25-18)13-8-4-5-10-19-13/h4-5,8,10,14H,3,6-7,9,11H2,1-2H3,(H,20,21,24)/t14-/m0/s1
InChIKeyIDONWPJMFLHDDN-AWEZNQCLSA-N
MW358.47 g/mol
LogP3.24
Rot. Bonds5

About (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 52505416) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID52505416
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@H]1C(=O)Nc1nc(C)c(-c2ccccn2)s1
InChIInChI=1S/C18H22N4O2S/c1-3-7-15(23)22-11-6-9-14(22)17(24)21-18-20-12(2)16(25-18)13-8-4-5-10-19-13/h4-5,8,10,14H,3,6-7,9,11H2,1-2H3,(H,20,21,24)/t14-/m0/s1
InChIKeyIDONWPJMFLHDDN-AWEZNQCLSA-N
XLogP3.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46518000
1-butanoyl-N-isoquinolin-1-ylpyrrolidine-2-carboxamide
CID 126824073
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-1-butanoylpyrrolidine-2-carboxamide
CID 112845098
1-(cyclopropanecarbonyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 31154278
(2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide
CID 124740351
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
N-(1,3-benzothiazol-2-yl)-1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86982604
N-(1,3-benzothiazol-2-yl)-1-[3-(2-methylphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 86888811
(3R)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176222
(2S)-1-(3-aminopropanoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 134235943
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 52505416) is (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CCCC(=O)N1CCC[C@H]1C(=O)Nc1nc(C)c(-c2ccccn2)s1.
What is the InChIKey of (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is IDONWPJMFLHDDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-3-7-15(23)22-11-6-9-14(22)17(24)21-18-20-12(2)16(25-18)13-8-4-5-10-19-13/h4-5,8,10,14H,3,6-7,9,11H2,1-2H3,(H,20,21,24)/t14-/m0/s1.
What are the key properties of (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 52505416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).