4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide

C11H12ClN5OS — CID 102668272

IUPAC4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide
SMILESCn1c(N)nnc1SCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H12ClN5OS/c1-17-10(14)15-16-11(17)19-5-7-3-2-6(9(13)18)4-8(7)12/h2-4H,5H2,1H3,(H2,13,18)(H2,14,15)
InChIKeyLGQMHPCSFJRYRW-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.44
Rot. Bonds4

About 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide

4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide (PubChem CID 102668272) has the molecular formula C11H12ClN5OS and a molecular weight of 297.77 g/mol. Its IUPAC name is 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide
PubChem CID102668272
Molecular FormulaC11H12ClN5OS
Molecular Weight297.77 g/mol
Exact Mass297.05
IUPAC Name4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide
SMILESCn1c(N)nnc1SCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H12ClN5OS/c1-17-10(14)15-16-11(17)19-5-7-3-2-6(9(13)18)4-8(7)12/h2-4H,5H2,1H3,(H2,13,18)(H2,14,15)
InChIKeyLGQMHPCSFJRYRW-UHFFFAOYSA-N
XLogP1.44
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-[[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylmethyl]benzamide
CID 102669080
5-[(2,5-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 65317727
4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-fluorobenzamide
CID 63095408
2-[4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345180
5-[(4-fluoro-2-methylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 113411921
3-amino-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 43376992
4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylthiophene-2-carboxylic acid
CID 80731546
3-[(4-bromo-2-chlorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 115598151
(4-carbamoyl-2-chlorophenyl)methyl carbamimidothioate
CID 102670703
5-[(4-bromo-2-chlorophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 115608868
5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63090805
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 47158205

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide?
The IUPAC name of 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide (CID 102668272) is 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide is Cn1c(N)nnc1SCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide?
The InChIKey is LGQMHPCSFJRYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5OS/c1-17-10(14)15-16-11(17)19-5-7-3-2-6(9(13)18)4-8(7)12/h2-4H,5H2,1H3,(H2,13,18)(H2,14,15).
What are the key properties of 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide?
4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide has a molecular weight of 297.77 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-chlorobenzamide is sourced from PubChem (CID 102668272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).