2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C12H12N2OS — CID 64976502

IUPAC2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(-c3cccnc3)nc21
InChIInChI=1S/C12H12N2OS/c15-9-4-1-5-10-11(9)14-12(16-10)8-3-2-6-13-7-8/h2-3,6-7,9,15H,1,4-5H2
InChIKeyBVJSAPADOXIGRI-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.57
Rot. Bonds1

About 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976502) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976502
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(-c3cccnc3)nc21
InChIInChI=1S/C12H12N2OS/c15-9-4-1-5-10-11(9)14-12(16-10)8-3-2-6-13-7-8/h2-3,6-7,9,15H,1,4-5H2
InChIKeyBVJSAPADOXIGRI-UHFFFAOYSA-N
XLogP2.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976502) is 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is OC1CCCc2sc(-c3cccnc3)nc21.
What is the InChIKey of 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is BVJSAPADOXIGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-9-4-1-5-10-11(9)14-12(16-10)8-3-2-6-13-7-8/h2-3,6-7,9,15H,1,4-5H2.
What are the key properties of 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 232.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).