2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

C13H19N5OS — CID 91831739

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc(CCCNC(=O)Cn2nc(C)cc2N)n1
InChIInChI=1S/C13H19N5OS/c1-9-6-11(14)18(17-9)7-12(19)15-5-3-4-13-16-10(2)8-20-13/h6,8H,3-5,7,14H2,1-2H3,(H,15,19)
InChIKeyQAMWTAAUECVOQN-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.29
Rot. Bonds6

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 91831739) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID91831739
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1csc(CCCNC(=O)Cn2nc(C)cc2N)n1
InChIInChI=1S/C13H19N5OS/c1-9-6-11(14)18(17-9)7-12(19)15-5-3-4-13-16-10(2)8-20-13/h6,8H,3-5,7,14H2,1-2H3,(H,15,19)
InChIKeyQAMWTAAUECVOQN-UHFFFAOYSA-N
XLogP1.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide (CID 91831739) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is Cc1csc(CCCNC(=O)Cn2nc(C)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is QAMWTAAUECVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9-6-11(14)18(17-9)7-12(19)15-5-3-4-13-16-10(2)8-20-13/h6,8H,3-5,7,14H2,1-2H3,(H,15,19).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 91831739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).