N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide

C7H11N3OS — CID 102807672

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
SMILESCc1nn(C)cc1NC(=O)CS
InChIInChI=1S/C7H11N3OS/c1-5-6(3-10(2)9-5)8-7(11)4-12/h3,12H,4H2,1-2H3,(H,8,11)
InChIKeyXBYXVFJQYZRDEK-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.60
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide

N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide (PubChem CID 102807672) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
PubChem CID102807672
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
SMILESCc1nn(C)cc1NC(=O)CS
InChIInChI=1S/C7H11N3OS/c1-5-6(3-10(2)9-5)8-7(11)4-12/h3,12H,4H2,1-2H3,(H,8,11)
InChIKeyXBYXVFJQYZRDEK-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide 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-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
CID 102806777
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346068
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
N-(1,3-dimethylpyrazol-4-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 102805575
4-amino-N-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
CID 102805519
2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 102806525
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
2-(2-amino-1,3-thiazol-4-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 102805535
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethoxybutanamide
CID 114227576

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide (CID 102807672) is N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide is Cc1nn(C)cc1NC(=O)CS.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide?
The InChIKey is XBYXVFJQYZRDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5-6(3-10(2)9-5)8-7(11)4-12/h3,12H,4H2,1-2H3,(H,8,11).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide has a molecular weight of 185.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide is sourced from PubChem (CID 102807672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).