4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C17H13ClN2O2S — CID 70789484

IUPAC4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13ClN2O2S/c1-22-15-9-12(18)7-8-13(15)16(21)20-17-19-14(10-23-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20,21)
InChIKeyXROHKVWODMIDKT-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.72
Rot. Bonds4

About 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 70789484) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID70789484
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13ClN2O2S/c1-22-15-9-12(18)7-8-13(15)16(21)20-17-19-14(10-23-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20,21)
InChIKeyXROHKVWODMIDKT-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 70789484) is 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1cc(Cl)ccc1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XROHKVWODMIDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-22-15-9-12(18)7-8-13(15)16(21)20-17-19-14(10-23-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20,21).
What are the key properties of 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 344.82 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 70789484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).