2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H20N4OS — CID 79128373

IUPAC2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1cccc(N)c1C
InChIInChI=1S/C15H20N4OS/c1-9-12(16)6-5-7-13(9)21-8-14(20)17-15-10(2)18-19(4)11(15)3/h5-7H,8,16H2,1-4H3,(H,17,20)
InChIKeyPTSXLUGNDZSBSD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.66
Rot. Bonds4

About 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 79128373) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID79128373
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1cccc(N)c1C
InChIInChI=1S/C15H20N4OS/c1-9-12(16)6-5-7-13(9)21-8-14(20)17-15-10(2)18-19(4)11(15)3/h5-7H,8,16H2,1-4H3,(H,17,20)
InChIKeyPTSXLUGNDZSBSD-UHFFFAOYSA-N
XLogP2.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.66
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

2-(2-amino-6-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43304649
2-(3-amino-2-methylphenyl)sulfanylacetohydrazide
CID 79140854
2-(4-amino-3-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79129071
2-(3-amino-2-methylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 79128368
2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 23964047
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38132468
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79128676
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7696701
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 79128373) is 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CSc1cccc(N)c1C.
What is the InChIKey of 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PTSXLUGNDZSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-12(16)6-5-7-13(9)21-8-14(20)17-15-10(2)18-19(4)11(15)3/h5-7H,8,16H2,1-4H3,(H,17,20).
What are the key properties of 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 79128373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).