N-(5-phenyl-1,3-thiazol-2-yl)benzamide

C16H12N2OS — CID 5329385

IUPACN-(5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C16H12N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-11-14(20-16)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
InChIKeyCTBBTYJXXXDYLG-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.06
Rot. Bonds3

About N-(5-phenyl-1,3-thiazol-2-yl)benzamide

N-(5-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 5329385) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(5-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID5329385
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC NameN-(5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C16H12N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-11-14(20-16)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
InChIKeyCTBBTYJXXXDYLG-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)benzamide (CID 5329385) is N-(5-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(5-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CTBBTYJXXXDYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-11-14(20-16)12-7-3-1-4-8-12/h1-11H,(H,17,18,19).
What are the key properties of N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
N-(5-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 280.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5329385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).