N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

C12H14ClN5O2S — CID 62897528

IUPACN-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(Sc1n[nH]c(=O)n1C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H14ClN5O2S/c1-6(21-12-17-16-11(20)18(12)2)10(19)15-9-5-7(13)3-4-8(9)14/h3-6H,14H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyQQRJXLVBDIDEJV-UHFFFAOYSA-N
MW327.80 g/mol
LogP1.46
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 62897528) has the molecular formula C12H14ClN5O2S and a molecular weight of 327.80 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID62897528
Molecular FormulaC12H14ClN5O2S
Molecular Weight327.80 g/mol
Exact Mass327.06
IUPAC NameN-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(Sc1n[nH]c(=O)n1C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C12H14ClN5O2S/c1-6(21-12-17-16-11(20)18(12)2)10(19)15-9-5-7(13)3-4-8(9)14/h3-6H,14H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyQQRJXLVBDIDEJV-UHFFFAOYSA-N
XLogP1.46
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide 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

N-(3-amino-2-methylphenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 62897712
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
(2R)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 9347127
N-(2-aminophenyl)-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 62882666
N-(2-amino-4-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 62897884
N-(2-amino-4-chlorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 104602936
N-(4-chlorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42974855
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 2488389
N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 46625154
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7760225
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 62897528) is N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is CC(Sc1n[nH]c(=O)n1C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is QQRJXLVBDIDEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2S/c1-6(21-12-17-16-11(20)18(12)2)10(19)15-9-5-7(13)3-4-8(9)14/h3-6H,14H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 327.80 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 62897528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).