N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide

C11H12N4OS2 — CID 32869317

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H12N4OS2/c1-2-7-9(18-15-14-7)10(16)13-11-12-8(5-17-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13,16)
InChIKeyPNFUCKKEMFLPJJ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.69
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 32869317) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
PubChem CID32869317
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H12N4OS2/c1-2-7-9(18-15-14-7)10(16)13-11-12-8(5-17-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13,16)
InChIKeyPNFUCKKEMFLPJJ-UHFFFAOYSA-N
XLogP2.69
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-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-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide (CID 32869317) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is PNFUCKKEMFLPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-2-7-9(18-15-14-7)10(16)13-11-12-8(5-17-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13,16).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 280.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 32869317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).