2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide

C13H13N3OS — CID 151079036

IUPAC2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(N2CCC2)n1
InChIInChI=1S/C13H13N3OS/c17-12(14-10-5-2-1-3-6-10)11-9-18-13(15-11)16-7-4-8-16/h1-3,5-6,9H,4,7-8H2,(H,14,17)
InChIKeyMJSMWWHOAYSJPW-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.61
Rot. Bonds3

About 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide

2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 151079036) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID151079036
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(N2CCC2)n1
InChIInChI=1S/C13H13N3OS/c17-12(14-10-5-2-1-3-6-10)11-9-18-13(15-11)16-7-4-8-16/h1-3,5-6,9H,4,7-8H2,(H,14,17)
InChIKeyMJSMWWHOAYSJPW-UHFFFAOYSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 69168862
N-(1-methylindazol-3-yl)-2-piperidin-1-yl-1,3-thiazole-4-carboxamide
CID 136567478
N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117085603
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453
2-(3-fluoropiperidin-1-yl)-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 67528044
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 46672798
N-(4-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 46056237
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide
CID 145187858

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide (CID 151079036) is 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)c1csc(N2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is MJSMWWHOAYSJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-12(14-10-5-2-1-3-6-10)11-9-18-13(15-11)16-7-4-8-16/h1-3,5-6,9H,4,7-8H2,(H,14,17).
What are the key properties of 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide?
2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 151079036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).