2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C12H17NO2S — CID 64976472

IUPAC2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(CC3CCCO3)nc21
InChIInChI=1S/C12H17NO2S/c14-9-4-1-5-10-12(9)13-11(16-10)7-8-3-2-6-15-8/h8-9,14H,1-7H2
InChIKeyNLXIXVALJSUXLA-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.23
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976472) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976472
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(CC3CCCO3)nc21
InChIInChI=1S/C12H17NO2S/c14-9-4-1-5-10-12(9)13-11(16-10)7-8-3-2-6-15-8/h8-9,14H,1-7H2
InChIKeyNLXIXVALJSUXLA-UHFFFAOYSA-N
XLogP2.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976228
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79413051
2-(2-ethoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 106815184
2-(2-methylpropylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 65137500
2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976309
2-(2-methyl-1,4-oxazepan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64978052
5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine
CID 65159398
2-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976553
5,5-dimethyl-2-(oxolan-2-ylmethyl)-4,6-dihydro-1,3-benzothiazol-7-one
CID 62091133
2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103987709
N-[[4-methyl-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62404257
[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362103

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976472) is 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is OC1CCCc2sc(CC3CCCO3)nc21.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is NLXIXVALJSUXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-9-4-1-5-10-12(9)13-11(16-10)7-8-3-2-6-15-8/h8-9,14H,1-7H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 239.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).