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

C13H12ClN3O3S — CID 2991114

IUPAC4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nccs1
InChIInChI=1S/C13H12ClN3O3S/c1-7(18)16-10-6-11(20-2)8(5-9(10)14)12(19)17-13-15-3-4-21-13/h3-6H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyMBBUHPYZYTUFFC-UHFFFAOYSA-N
MW325.78 g/mol
LogP3.02
Rot. Bonds4

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

4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2991114) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2991114
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nccs1
InChIInChI=1S/C13H12ClN3O3S/c1-7(18)16-10-6-11(20-2)8(5-9(10)14)12(19)17-13-15-3-4-21-13/h3-6H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyMBBUHPYZYTUFFC-UHFFFAOYSA-N
XLogP3.02
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,3-dimethylbutyrylamino)-2-methoxy-N-thiazol-2-ylbenzamide
CID 11473488
4-(3,3-Dimethyl-butyrylamino)-5-fluoro-2-methoxy-N-thiazol-2-yl-benzamide
CID 51050227
5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1124061
5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 1164417
1-(5-chloro-2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 49722821
5-chloro-2-methoxy-N-(1-(thiazol-2-yl)piperidin-4-yl)benzamide
CID 71810018
4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide
CID 142779502
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55772829
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78888403
4-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide
CID 153786746
5-chloro-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2678144
4-(acetylamino)-5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 3350292

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide (CID 2991114) is 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nccs1.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is MBBUHPYZYTUFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-7(18)16-10-6-11(20-2)8(5-9(10)14)12(19)17-13-15-3-4-21-13/h3-6H,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide?
4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 325.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2991114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).