N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide

C10H11N3OS — CID 115532473

IUPACN-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cnns1
InChIInChI=1S/C10H11N3OS/c1-2-5-13(7-8-3-4-8)10(14)9-6-11-12-15-9/h1,6,8H,3-5,7H2
InChIKeyYAFBPBFQFLCFIT-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.02
Rot. Bonds4

About N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide

N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide (PubChem CID 115532473) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
PubChem CID115532473
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cnns1
InChIInChI=1S/C10H11N3OS/c1-2-5-13(7-8-3-4-8)10(14)9-6-11-12-15-9/h1,6,8H,3-5,7H2
InChIKeyYAFBPBFQFLCFIT-UHFFFAOYSA-N
XLogP1.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-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-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide (CID 115532473) is N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide is C#CCN(CC1CC1)C(=O)c1cnns1.
What is the InChIKey of N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide?
The InChIKey is YAFBPBFQFLCFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-5-13(7-8-3-4-8)10(14)9-6-11-12-15-9/h1,6,8H,3-5,7H2.
What are the key properties of N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide?
N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-prop-2-ynylthiadiazole-5-carboxamide is sourced from PubChem (CID 115532473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).