N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C15H14ClN3O2S — CID 26333932

IUPACN-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cscn1
InChIInChI=1S/C15H14ClN3O2S/c16-12-4-2-1-3-10(12)6-19-7-11(5-14(19)20)18-15(21)13-8-22-9-17-13/h1-4,8-9,11H,5-7H2,(H,18,21)/t11-/m0/s1
InChIKeyCGRYGFQNYXSQGJ-NSHDSACASA-N
MW335.82 g/mol
LogP2.33
Rot. Bonds4

About N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 26333932) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID26333932
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cscn1
InChIInChI=1S/C15H14ClN3O2S/c16-12-4-2-1-3-10(12)6-19-7-11(5-14(19)20)18-15(21)13-8-22-9-17-13/h1-4,8-9,11H,5-7H2,(H,18,21)/t11-/m0/s1
InChIKeyCGRYGFQNYXSQGJ-NSHDSACASA-N
XLogP2.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95710228
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 42311318
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 95709758
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 45177959
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
CID 28785782
5-chloro-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 95712863
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 45238063
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 45222736

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 26333932) is N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cscn1.
What is the InChIKey of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CGRYGFQNYXSQGJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-12-4-2-1-3-10(12)6-19-7-11(5-14(19)20)18-15(21)13-8-22-9-17-13/h1-4,8-9,11H,5-7H2,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 26333932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).