N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide

C18H14N2O2S — CID 4093356

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H14N2O2S/c1-12(21)16-15(13-8-4-2-5-9-13)19-18(23-16)20-17(22)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,22)
InChIKeyBIZMTDBMEOEUPC-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.26
Rot. Bonds4

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4093356) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID4093356
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H14N2O2S/c1-12(21)16-15(13-8-4-2-5-9-13)19-18(23-16)20-17(22)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,22)
InChIKeyBIZMTDBMEOEUPC-UHFFFAOYSA-N
XLogP4.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide (CID 4093356) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide is CC(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BIZMTDBMEOEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-12(21)16-15(13-8-4-2-5-9-13)19-18(23-16)20-17(22)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,22).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 322.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4093356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).