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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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).