N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide

C13H15ClN4OS — CID 62408208

IUPACN-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cc(Cl)ccc2N)n(C)n1
InChIInChI=1S/C13H15ClN4OS/c1-8-5-13(18(2)17-8)20-7-12(19)16-11-6-9(14)3-4-10(11)15/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyKOCQZMBBDJNSOO-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.69
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide

N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide (PubChem CID 62408208) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
PubChem CID62408208
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cc(Cl)ccc2N)n(C)n1
InChIInChI=1S/C13H15ClN4OS/c1-8-5-13(18(2)17-8)20-7-12(19)16-11-6-9(14)3-4-10(11)15/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyKOCQZMBBDJNSOO-UHFFFAOYSA-N
XLogP2.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62409558
N-(5-amino-2-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide
CID 62410099
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107779905
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 107779699
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79524833
N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 891795
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 40663127
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
2-(2,5-dimethylpyrazol-3-yl)sulfanylacetic acid
CID 62409331
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide (CID 62408208) is N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2cc(Cl)ccc2N)n(C)n1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
The InChIKey is KOCQZMBBDJNSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-8-5-13(18(2)17-8)20-7-12(19)16-11-6-9(14)3-4-10(11)15/h3-6H,7,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide?
N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide has a molecular weight of 310.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylacetamide is sourced from PubChem (CID 62408208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).