4-methyl-N-pentylthiadiazole-5-carboxamide

C9H15N3OS — CID 7576690

IUPAC4-methyl-N-pentylthiadiazole-5-carboxamide
SMILESCCCCCNC(=O)c1snnc1C
InChIInChI=1S/C9H15N3OS/c1-3-4-5-6-10-9(13)8-7(2)11-12-14-8/h3-6H2,1-2H3,(H,10,13)
InChIKeySDYFJNVMJCVIQI-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.77
Rot. Bonds5

About 4-methyl-N-pentylthiadiazole-5-carboxamide

4-methyl-N-pentylthiadiazole-5-carboxamide (PubChem CID 7576690) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-methyl-N-pentylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pentylthiadiazole-5-carboxamide
PubChem CID7576690
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-methyl-N-pentylthiadiazole-5-carboxamide
SMILESCCCCCNC(=O)c1snnc1C
InChIInChI=1S/C9H15N3OS/c1-3-4-5-6-10-9(13)8-7(2)11-12-14-8/h3-6H2,1-2H3,(H,10,13)
InChIKeySDYFJNVMJCVIQI-UHFFFAOYSA-N
XLogP1.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-pentylthiadiazole-5-carboxamide 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 4-methyl-N-pentylthiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-pentylthiadiazole-5-carboxamide (CID 7576690) is 4-methyl-N-pentylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-pentylthiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-pentylthiadiazole-5-carboxamide is CCCCCNC(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N-pentylthiadiazole-5-carboxamide?
The InChIKey is SDYFJNVMJCVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-4-5-6-10-9(13)8-7(2)11-12-14-8/h3-6H2,1-2H3,(H,10,13).
What are the key properties of 4-methyl-N-pentylthiadiazole-5-carboxamide?
4-methyl-N-pentylthiadiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).