2-cyclopropyl-1,3-benzothiazol-7-ol

C10H9NOS — CID 83818047

IUPAC2-cyclopropyl-1,3-benzothiazol-7-ol
SMILESOc1cccc2nc(C3CC3)sc12
InChIInChI=1S/C10H9NOS/c12-8-3-1-2-7-9(8)13-10(11-7)6-4-5-6/h1-3,6,12H,4-5H2
InChIKeyYUPIJGZZKBWKLB-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.88
Rot. Bonds1

About 2-cyclopropyl-1,3-benzothiazol-7-ol

2-cyclopropyl-1,3-benzothiazol-7-ol (PubChem CID 83818047) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-cyclopropyl-1,3-benzothiazol-7-ol
PubChem CID83818047
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-cyclopropyl-1,3-benzothiazol-7-ol
SMILESOc1cccc2nc(C3CC3)sc12
InChIInChI=1S/C10H9NOS/c12-8-3-1-2-7-9(8)13-10(11-7)6-4-5-6/h1-3,6,12H,4-5H2
InChIKeyYUPIJGZZKBWKLB-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-benzothiazol-7-ol?
The IUPAC name of 2-cyclopropyl-1,3-benzothiazol-7-ol (CID 83818047) is 2-cyclopropyl-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-cyclopropyl-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-cyclopropyl-1,3-benzothiazol-7-ol is Oc1cccc2nc(C3CC3)sc12.
What is the InChIKey of 2-cyclopropyl-1,3-benzothiazol-7-ol?
The InChIKey is YUPIJGZZKBWKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-8-3-1-2-7-9(8)13-10(11-7)6-4-5-6/h1-3,6,12H,4-5H2.
What are the key properties of 2-cyclopropyl-1,3-benzothiazol-7-ol?
2-cyclopropyl-1,3-benzothiazol-7-ol has a molecular weight of 191.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-benzothiazol-7-ol is sourced from PubChem (CID 83818047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).