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

C17H13ClN2O2S — CID 884692

IUPAC3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-22-14-7-5-11(6-8-14)15-10-23-17(19-15)20-16(21)12-3-2-4-13(18)9-12/h2-10H,1H3,(H,19,20,21)
InChIKeySNOBDYZCOTZWKT-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.72
Rot. Bonds4

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

3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 884692) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID884692
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H13ClN2O2S/c1-22-14-7-5-11(6-8-14)15-10-23-17(19-15)20-16(21)12-3-2-4-13(18)9-12/h2-10H,1H3,(H,19,20,21)
InChIKeySNOBDYZCOTZWKT-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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Related Compounds

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CID 49843517
T16AInh-A01
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N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
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N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
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N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-oxononanediamide
CID 9822443
4-[(2-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 145489062
(E)-3-[2,6-dichloro-4-[[4-[3-[(1S)-2,2-dimethyl-1-propoxypropyl]-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid
CID 59544877
4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 746912

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 884692) is 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SNOBDYZCOTZWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-22-14-7-5-11(6-8-14)15-10-23-17(19-15)20-16(21)12-3-2-4-13(18)9-12/h2-10H,1H3,(H,19,20,21).
What are the key properties of 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
3-chloro-N-[4-(4-methoxyphenyl)-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 3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 884692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).