N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

C17H13ClN2OS — CID 726220

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1
InChIInChI=1S/C17H13ClN2OS/c18-14-8-4-5-12(9-14)10-15-11-19-17(22-15)20-16(21)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,19,20,21)
InChIKeyUWDOLBLSWYKCAF-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.64
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 726220) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID726220
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1
InChIInChI=1S/C17H13ClN2OS/c18-14-8-4-5-12(9-14)10-15-11-19-17(22-15)20-16(21)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,19,20,21)
InChIKeyUWDOLBLSWYKCAF-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 726220) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is UWDOLBLSWYKCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2OS/c18-14-8-4-5-12(9-14)10-15-11-19-17(22-15)20-16(21)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,19,20,21).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 328.82 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 726220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).