N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C13H19N5OS2 — CID 46982812

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCCc2c(C)n[nH]c2C)s1
InChIInChI=1S/C13H19N5OS2/c1-8-11(9(2)16-15-8)5-4-6-14-12(19)7-20-13-18-17-10(3)21-13/h4-7H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyLBVSXCFDKWVSIA-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.03
Rot. Bonds7

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 46982812) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID46982812
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCCc2c(C)n[nH]c2C)s1
InChIInChI=1S/C13H19N5OS2/c1-8-11(9(2)16-15-8)5-4-6-14-12(19)7-20-13-18-17-10(3)21-13/h4-7H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyLBVSXCFDKWVSIA-UHFFFAOYSA-N
XLogP2.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]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 N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 46982812) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCCCc2c(C)n[nH]c2C)s1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is LBVSXCFDKWVSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-8-11(9(2)16-15-8)5-4-6-14-12(19)7-20-13-18-17-10(3)21-13/h4-7H2,1-3H3,(H,14,19)(H,15,16).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 325.46 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 46982812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).