2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

C14H15N3OS — CID 119453994

IUPAC2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCNC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C14H15N3OS/c18-13(16-11-6-7-15-8-11)12-9-19-14(17-12)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,16,18)
InChIKeyPQQSJJXGTWVJKN-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.90
Rot. Bonds3

About 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 119453994) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID119453994
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCNC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C14H15N3OS/c18-13(16-11-6-7-15-8-11)12-9-19-14(17-12)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,16,18)
InChIKeyPQQSJJXGTWVJKN-UHFFFAOYSA-N
XLogP1.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119459274
2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119452998
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119425935
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488636

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (CID 119453994) is 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is O=C(NC1CCNC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PQQSJJXGTWVJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-13(16-11-6-7-15-8-11)12-9-19-14(17-12)10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,16,18).
What are the key properties of 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119453994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).