(2-benzyl-1,3-benzothiazol-6-yl)methanol

C15H13NOS — CID 177267046

IUPAC(2-benzyl-1,3-benzothiazol-6-yl)methanol
SMILESOCc1ccc2nc(Cc3ccccc3)sc2c1
InChIInChI=1S/C15H13NOS/c17-10-12-6-7-13-14(8-12)18-15(16-13)9-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKeyPMOLEUYWIRMXAQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.38
Rot. Bonds3

About (2-benzyl-1,3-benzothiazol-6-yl)methanol

(2-benzyl-1,3-benzothiazol-6-yl)methanol (PubChem CID 177267046) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is (2-benzyl-1,3-benzothiazol-6-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-1,3-benzothiazol-6-yl)methanol
PubChem CID177267046
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name(2-benzyl-1,3-benzothiazol-6-yl)methanol
SMILESOCc1ccc2nc(Cc3ccccc3)sc2c1
InChIInChI=1S/C15H13NOS/c17-10-12-6-7-13-14(8-12)18-15(16-13)9-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKeyPMOLEUYWIRMXAQ-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-benzyl-1,3-benzothiazol-6-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 156595781
4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]aniline
CID 54859288
2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 66203826
2-[(4-chlorophenyl)methyl]-6-fluoro-1,3-benzothiazole
CID 50850071
[2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol
CID 51352254
1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropan-2-one
CID 159883027
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-benzylthiourea
CID 8628473
N-benzhydryl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazol-6-amine
CID 175425304
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714
5-(1,3-benzothiazol-2-ylmethyl)-2-methylbenzoic acid
CID 79818498
3-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 79147705

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-benzothiazol-6-yl)methanol?
The IUPAC name of (2-benzyl-1,3-benzothiazol-6-yl)methanol (CID 177267046) is (2-benzyl-1,3-benzothiazol-6-yl)methanol.
What is the SMILES notation for (2-benzyl-1,3-benzothiazol-6-yl)methanol?
The canonical SMILES for (2-benzyl-1,3-benzothiazol-6-yl)methanol is OCc1ccc2nc(Cc3ccccc3)sc2c1.
What is the InChIKey of (2-benzyl-1,3-benzothiazol-6-yl)methanol?
The InChIKey is PMOLEUYWIRMXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c17-10-12-6-7-13-14(8-12)18-15(16-13)9-11-4-2-1-3-5-11/h1-8,17H,9-10H2.
What are the key properties of (2-benzyl-1,3-benzothiazol-6-yl)methanol?
(2-benzyl-1,3-benzothiazol-6-yl)methanol has a molecular weight of 255.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-benzothiazol-6-yl)methanol is sourced from PubChem (CID 177267046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).