N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide

C13H18N4OS — CID 65205216

IUPACN-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(CC#N)C1CCCC1
InChIInChI=1S/C13H18N4OS/c1-2-5-11-12(19-16-15-11)13(18)17(9-8-14)10-6-3-4-7-10/h10H,2-7,9H2,1H3
InChIKeyUCSYFWCKSXBBQL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.40
Rot. Bonds5

About N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide

N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide (PubChem CID 65205216) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide
PubChem CID65205216
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(CC#N)C1CCCC1
InChIInChI=1S/C13H18N4OS/c1-2-5-11-12(19-16-15-11)13(18)17(9-8-14)10-6-3-4-7-10/h10H,2-7,9H2,1H3
InChIKeyUCSYFWCKSXBBQL-UHFFFAOYSA-N
XLogP2.40
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-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 N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide (CID 65205216) is N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(CC#N)C1CCCC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide?
The InChIKey is UCSYFWCKSXBBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-5-11-12(19-16-15-11)13(18)17(9-8-14)10-6-3-4-7-10/h10H,2-7,9H2,1H3.
What are the key properties of N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide?
N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopentyl-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).