4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide

C19H17ClN2OS — CID 7222734

IUPAC4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(-c2ccccc2)sc1CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2OS/c1-13-17(24-19(22-13)15-5-3-2-4-6-15)11-12-21-18(23)14-7-9-16(20)10-8-14/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyCFAJEXPWFOWHCU-UHFFFAOYSA-N
MW356.88 g/mol
LogP4.74
Rot. Bonds5

About 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide

4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 7222734) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID7222734
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCc1nc(-c2ccccc2)sc1CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2OS/c1-13-17(24-19(22-13)15-5-3-2-4-6-15)11-12-21-18(23)14-7-9-16(20)10-8-14/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyCFAJEXPWFOWHCU-UHFFFAOYSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 7222734) is 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide is Cc1nc(-c2ccccc2)sc1CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is CFAJEXPWFOWHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-13-17(24-19(22-13)15-5-3-2-4-6-15)11-12-21-18(23)14-7-9-16(20)10-8-14/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 356.88 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 7222734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).