N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide

C17H14N2OS — CID 723245

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c20-17(14-9-5-2-6-10-14)18-11-16-19-15(12-21-16)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,18,20)
InChIKeyXNRCEIBOXIEVLI-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 723245) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID723245
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c20-17(14-9-5-2-6-10-14)18-11-16-19-15(12-21-16)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,18,20)
InChIKeyXNRCEIBOXIEVLI-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide (CID 723245) is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide is O=C(NCc1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is XNRCEIBOXIEVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(14-9-5-2-6-10-14)18-11-16-19-15(12-21-16)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,18,20).
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide?
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 294.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 723245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).