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

C12H11ClN2O2S — CID 2679160

IUPAC5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(C)cs1
InChIInChI=1S/C12H11ClN2O2S/c1-7-6-18-12(14-7)15-11(16)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,14,15,16)
InChIKeyAZEOIIHWAGHWBX-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.37
Rot. Bonds3

About 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2679160) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2679160
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1nc(C)cs1
InChIInChI=1S/C12H11ClN2O2S/c1-7-6-18-12(14-7)15-11(16)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,14,15,16)
InChIKeyAZEOIIHWAGHWBX-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2679160) is 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1nc(C)cs1.
What is the InChIKey of 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AZEOIIHWAGHWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-6-18-12(14-7)15-11(16)9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 282.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2679160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).