2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

C15H16N4O2S — CID 125024121

IUPAC2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc([C@H]2CCCN2C(=O)Cc2cccnc2)s1
InChIInChI=1S/C15H16N4O2S/c16-14(21)12-9-18-15(22-12)11-4-2-6-19(11)13(20)7-10-3-1-5-17-8-10/h1,3,5,8-9,11H,2,4,6-7H2,(H2,16,21)/t11-/m1/s1
InChIKeyZDDHAIZCNVZKRZ-LLVKDONJSA-N
MW316.39 g/mol
LogP1.54
Rot. Bonds4

About 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 125024121) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID125024121
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc([C@H]2CCCN2C(=O)Cc2cccnc2)s1
InChIInChI=1S/C15H16N4O2S/c16-14(21)12-9-18-15(22-12)11-4-2-6-19(11)13(20)7-10-3-1-5-17-8-10/h1,3,5,8-9,11H,2,4,6-7H2,(H2,16,21)/t11-/m1/s1
InChIKeyZDDHAIZCNVZKRZ-LLVKDONJSA-N
XLogP1.54
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124946578
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 91770568
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 138481518
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 71928959
2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125009220
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 110135347
2-pyridin-3-yl-1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 59166503
2-(4-chlorophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)ethanone
CID 110871568
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496
2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124940784

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (CID 125024121) is 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc([C@H]2CCCN2C(=O)Cc2cccnc2)s1.
What is the InChIKey of 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZDDHAIZCNVZKRZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-14(21)12-9-18-15(22-12)11-4-2-6-19(11)13(20)7-10-3-1-5-17-8-10/h1,3,5,8-9,11H,2,4,6-7H2,(H2,16,21)/t11-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125024121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).