2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C15H21NOS — CID 65390327

IUPAC2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCC1CCC(c2nc3c(s2)CCCC3=O)CC1
InChIInChI=1S/C15H21NOS/c1-2-10-6-8-11(9-7-10)15-16-14-12(17)4-3-5-13(14)18-15/h10-11H,2-9H2,1H3
InChIKeyWUVIGYHIKMVUMF-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.35
Rot. Bonds2

About 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 65390327) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID65390327
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCC1CCC(c2nc3c(s2)CCCC3=O)CC1
InChIInChI=1S/C15H21NOS/c1-2-10-6-8-11(9-7-10)15-16-14-12(17)4-3-5-13(14)18-15/h10-11H,2-9H2,1H3
InChIKeyWUVIGYHIKMVUMF-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 65390327) is 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is CCC1CCC(c2nc3c(s2)CCCC3=O)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is WUVIGYHIKMVUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-10-6-8-11(9-7-10)15-16-14-12(17)4-3-5-13(14)18-15/h10-11H,2-9H2,1H3.
What are the key properties of 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 263.41 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 65390327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).