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

C13H13ClN4O3S — CID 6490620

IUPAC4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H13ClN4O3S/c1-6(19)15-10-5-11(21-3)8(4-9(10)14)12(20)16-13-18-17-7(2)22-13/h4-5H,1-3H3,(H,15,19)(H,16,18,20)
InChIKeyNUMIPKYGTCFOFB-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.72
Rot. Bonds4

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

4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 6490620) has the molecular formula C13H13ClN4O3S and a molecular weight of 340.79 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID6490620
Molecular FormulaC13H13ClN4O3S
Molecular Weight340.79 g/mol
Exact Mass340.04
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(C)s1
InChIInChI=1S/C13H13ClN4O3S/c1-6(19)15-10-5-11(21-3)8(4-9(10)14)12(20)16-13-18-17-7(2)22-13/h4-5H,1-3H3,(H,15,19)(H,16,18,20)
InChIKeyNUMIPKYGTCFOFB-UHFFFAOYSA-N
XLogP2.72
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3974438
4-acetamido-5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 4014438
4-acetamido-5-chloro-2-methoxy-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17257164
4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
CID 17257138
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
4-acetamido-5-chloro-2-methoxy-N-(3-oxoprop-1-en-2-yl)benzamide
CID 10613903
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
CID 7379277
4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 163390637

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 6490620) is 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nnc(C)s1.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is NUMIPKYGTCFOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3S/c1-6(19)15-10-5-11(21-3)8(4-9(10)14)12(20)16-13-18-17-7(2)22-13/h4-5H,1-3H3,(H,15,19)(H,16,18,20).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 340.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 6490620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).