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

C18H15ClN2OS — CID 22583819

IUPAC3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2OS/c19-15-8-4-7-14(11-15)17(22)20-10-9-16-12-23-18(21-16)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22)
InChIKeyLQKTWPNYZAXPQJ-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.44
Rot. Bonds5

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

3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 22583819) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID22583819
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2OS/c19-15-8-4-7-14(11-15)17(22)20-10-9-16-12-23-18(21-16)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22)
InChIKeyLQKTWPNYZAXPQJ-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 22583819) is 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is LQKTWPNYZAXPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-15-8-4-7-14(11-15)17(22)20-10-9-16-12-23-18(21-16)13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,22).
What are the key properties of 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide?
3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 342.85 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 22583819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).