N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide

C15H14N4OS — CID 118980641

IUPACN-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide
SMILESN#CN(C(=O)C1CCNC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H14N4OS/c16-10-19(15(20)12-6-7-17-8-12)13-9-18-14(21-13)11-4-2-1-3-5-11/h1-5,9,12,17H,6-8H2
InChIKeyUVQCJMMTKKTABR-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.23
Rot. Bonds3

About N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide

N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 118980641) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID118980641
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide
SMILESN#CN(C(=O)C1CCNC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H14N4OS/c16-10-19(15(20)12-6-7-17-8-12)13-9-18-14(21-13)11-4-2-1-3-5-11/h1-5,9,12,17H,6-8H2
InChIKeyUVQCJMMTKKTABR-UHFFFAOYSA-N
XLogP2.23
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164609998
N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide
CID 164610288
4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164622247
4-(azepan-1-yl)-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164622624
4-(azepan-1-yl)-N-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164626821
US10343992, Example 71
CID 122590394
US10343992, Example 72
CID 122590506
US11370784, Example 28
CID 141758446
N-[3-(3-methylpyrrolidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164609398
2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 164611021
4-(azepan-1-yl)-N-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164613417
4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide
CID 164614189

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide (CID 118980641) is N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide is N#CN(C(=O)C1CCNC1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is UVQCJMMTKKTABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-10-19(15(20)12-6-7-17-8-12)13-9-18-14(21-13)11-4-2-1-3-5-11/h1-5,9,12,17H,6-8H2.
What are the key properties of N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide?
N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118980641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).