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

C12H17NO2S — CID 116727490

IUPAC2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCCOC(CC)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C12H17NO2S/c1-3-10(15-4-2)12-13-8-6-5-7-9(14)11(8)16-12/h10H,3-7H2,1-2H3
InChIKeyYJCRKJLXGUNPQR-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.15
Rot. Bonds4

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

2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 116727490) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID116727490
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCCOC(CC)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C12H17NO2S/c1-3-10(15-4-2)12-13-8-6-5-7-9(14)11(8)16-12/h10H,3-7H2,1-2H3
InChIKeyYJCRKJLXGUNPQR-UHFFFAOYSA-N
XLogP3.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pentan-3-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62312554
2-(1-methoxybutyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 116727487
2-ethyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62079122
ethyl 7-oxo-5,6-dihydro-4H-1,3-benzothiazole-2-carboxylate
CID 14955933
2-(1-methoxycyclobutyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 116727489
2-[bis(2-methylpropyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62752331
2-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetonitrile
CID 62078246
2-[cyclopropylmethyl(ethyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63941076
2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62078762
2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62756549
2-(3,5-dimethylphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62078251
N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
CID 116730641

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 116727490) is 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is CCOC(CC)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is YJCRKJLXGUNPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-10(15-4-2)12-13-8-6-5-7-9(14)11(8)16-12/h10H,3-7H2,1-2H3.
What are the key properties of 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 239.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 116727490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).