(4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone

C13H20N2OS — CID 105076837

IUPAC(4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone
SMILESCC(C)(C)c1nnsc1C(=O)C1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)12-11(17-15-14-12)10(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyFHYKBOBTNACEAQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.60
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone

(4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone (PubChem CID 105076837) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone
PubChem CID105076837
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone
SMILESCC(C)(C)c1nnsc1C(=O)C1CCCCC1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)12-11(17-15-14-12)10(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyFHYKBOBTNACEAQ-UHFFFAOYSA-N
XLogP3.60
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone 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-tert-butylthiadiazol-5-yl)-cyclohexylmethanone?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone (CID 105076837) is (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone is CC(C)(C)c1nnsc1C(=O)C1CCCCC1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone?
The InChIKey is FHYKBOBTNACEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,3)12-11(17-15-14-12)10(16)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone?
(4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone has a molecular weight of 252.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-cyclohexylmethanone is sourced from PubChem (CID 105076837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).