N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide

C17H19N3O2S — CID 18157145

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H19N3O2S/c21-15(20-10-4-5-11-20)8-9-18-16(22)14-12-23-17(19-14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,18,22)
InChIKeyGKXREVUJIGMSBU-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.55
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 18157145) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID18157145
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H19N3O2S/c21-15(20-10-4-5-11-20)8-9-18-16(22)14-12-23-17(19-14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,18,22)
InChIKeyGKXREVUJIGMSBU-UHFFFAOYSA-N
XLogP2.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
2-(2-aminoethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66388742
2-(2-aminoethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120629089
2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
(2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 122194915
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 18157145) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NCCC(=O)N1CCCC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is GKXREVUJIGMSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-15(20-10-4-5-11-20)8-9-18-16(22)14-12-23-17(19-14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,18,22).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18157145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).