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

C14H19NOS — CID 65405379

IUPAC2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCC1CCC(c2nc3c(s2)CCCC3=O)C1
InChIInChI=1S/C14H19NOS/c1-2-9-6-7-10(8-9)14-15-13-11(16)4-3-5-12(13)17-14/h9-10H,2-8H2,1H3
InChIKeyDWAVAYYVMPMVCR-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.96
Rot. Bonds2

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

2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 65405379) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID65405379
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCC1CCC(c2nc3c(s2)CCCC3=O)C1
InChIInChI=1S/C14H19NOS/c1-2-9-6-7-10(8-9)14-15-13-11(16)4-3-5-12(13)17-14/h9-10H,2-8H2,1H3
InChIKeyDWAVAYYVMPMVCR-UHFFFAOYSA-N
XLogP3.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 65405379) is 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is CCC1CCC(c2nc3c(s2)CCCC3=O)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is DWAVAYYVMPMVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-9-6-7-10(8-9)14-15-13-11(16)4-3-5-12(13)17-14/h9-10H,2-8H2,1H3.
What are the key properties of 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 249.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 65405379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).