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

C12H12N2OS — CID 172694474

IUPACN-(2-ethyl-1,3-thiazol-5-yl)benzamide
SMILESCCc1ncc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C12H12N2OS/c1-2-10-13-8-11(16-10)14-12(15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyCDDNNJZRVXJFLV-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.96
Rot. Bonds3

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

N-(2-ethyl-1,3-thiazol-5-yl)benzamide (PubChem CID 172694474) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(2-ethyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-thiazol-5-yl)benzamide
PubChem CID172694474
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(2-ethyl-1,3-thiazol-5-yl)benzamide
SMILESCCc1ncc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C12H12N2OS/c1-2-10-13-8-11(16-10)14-12(15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyCDDNNJZRVXJFLV-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-(2-ethyl-1,3-thiazol-5-yl)benzamide (CID 172694474) is N-(2-ethyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-(2-ethyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-(2-ethyl-1,3-thiazol-5-yl)benzamide is CCc1ncc(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-(2-ethyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is CDDNNJZRVXJFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-10-13-8-11(16-10)14-12(15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of N-(2-ethyl-1,3-thiazol-5-yl)benzamide?
N-(2-ethyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 232.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 172694474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).