(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone

C13H20N2OS — CID 105106758

IUPAC(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)C1CCCC(CC)C1
InChIInChI=1S/C13H20N2OS/c1-3-9-6-5-7-10(8-9)12(16)13-11(4-2)14-15-17-13/h9-10H,3-8H2,1-2H3
InChIKeyCYQKREUKHQPBKW-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.50
Rot. Bonds4

About (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone

(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 105106758) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone
PubChem CID105106758
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)C1CCCC(CC)C1
InChIInChI=1S/C13H20N2OS/c1-3-9-6-5-7-10(8-9)12(16)13-11(4-2)14-15-17-13/h9-10H,3-8H2,1-2H3
InChIKeyCYQKREUKHQPBKW-UHFFFAOYSA-N
XLogP3.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone (CID 105106758) is (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)C1CCCC(CC)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is CYQKREUKHQPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-9-6-5-7-10(8-9)12(16)13-11(4-2)14-15-17-13/h9-10H,3-8H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone?
(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105106758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).