(2-methyl-1,3-benzothiazol-5-yl)methanol

C9H9NOS — CID 2341868

IUPAC(2-methyl-1,3-benzothiazol-5-yl)methanol
SMILESCc1nc2cc(CO)ccc2s1
InChIInChI=1S/C9H9NOS/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h2-4,11H,5H2,1H3
InChIKeyBHCZAVCHQMOXAB-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.10
Rot. Bonds1

About (2-methyl-1,3-benzothiazol-5-yl)methanol

(2-methyl-1,3-benzothiazol-5-yl)methanol (PubChem CID 2341868) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is (2-methyl-1,3-benzothiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,3-benzothiazol-5-yl)methanol
PubChem CID2341868
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name(2-methyl-1,3-benzothiazol-5-yl)methanol
SMILESCc1nc2cc(CO)ccc2s1
InChIInChI=1S/C9H9NOS/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h2-4,11H,5H2,1H3
InChIKeyBHCZAVCHQMOXAB-UHFFFAOYSA-N
XLogP2.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzothiazol-5-yl)methanol?
The IUPAC name of (2-methyl-1,3-benzothiazol-5-yl)methanol (CID 2341868) is (2-methyl-1,3-benzothiazol-5-yl)methanol.
What is the SMILES notation for (2-methyl-1,3-benzothiazol-5-yl)methanol?
The canonical SMILES for (2-methyl-1,3-benzothiazol-5-yl)methanol is Cc1nc2cc(CO)ccc2s1.
What is the InChIKey of (2-methyl-1,3-benzothiazol-5-yl)methanol?
The InChIKey is BHCZAVCHQMOXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h2-4,11H,5H2,1H3.
What are the key properties of (2-methyl-1,3-benzothiazol-5-yl)methanol?
(2-methyl-1,3-benzothiazol-5-yl)methanol has a molecular weight of 179.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzothiazol-5-yl)methanol is sourced from PubChem (CID 2341868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).