N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C17H19N3O2S — CID 42311318

IUPACN-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)c1cscn1
InChIInChI=1S/C17H19N3O2S/c21-16-9-14(19-17(22)15-11-23-12-18-15)10-20(16)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,19,22)/t14-/m1/s1
InChIKeyRCDFTKXZBJQSCR-CQSZACIVSA-N
MW329.42 g/mol
LogP2.11
Rot. Bonds6

About N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 42311318) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID42311318
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)c1cscn1
InChIInChI=1S/C17H19N3O2S/c21-16-9-14(19-17(22)15-11-23-12-18-15)10-20(16)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,19,22)/t14-/m1/s1
InChIKeyRCDFTKXZBJQSCR-CQSZACIVSA-N
XLogP2.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333932
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42527641
2-methoxy-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 26333975
2-(dimethylamino)-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 26392506
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
2-hydroxy-5-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
CID 56900894
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 42311318) is N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@@H]1CC(=O)N(CCCc2ccccc2)C1)c1cscn1.
What is the InChIKey of N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RCDFTKXZBJQSCR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16-9-14(19-17(22)15-11-23-12-18-15)10-20(16)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42311318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).