2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol

C15H17NOS — CID 115066918

IUPAC2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
SMILESCc1ccccc1Cc1nc2c(s1)CC(O)CC2
InChIInChI=1S/C15H17NOS/c1-10-4-2-3-5-11(10)8-15-16-13-7-6-12(17)9-14(13)18-15/h2-5,12,17H,6-9H2,1H3
InChIKeyABOXCQLFQRKRNB-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.89
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol

2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol (PubChem CID 115066918) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
PubChem CID115066918
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
SMILESCc1ccccc1Cc1nc2c(s1)CC(O)CC2
InChIInChI=1S/C15H17NOS/c1-10-4-2-3-5-11(10)8-15-16-13-7-6-12(17)9-14(13)18-15/h2-5,12,17H,6-9H2,1H3
InChIKeyABOXCQLFQRKRNB-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066917
2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066888
(2-benzyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine
CID 115003487
sodium 2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetate
CID 71755869
N-[[4-methyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55070876
3-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117148877
3-[(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]phenol
CID 115066915
N-[[4-ethyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841788
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976349
6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 82294455
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-2-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 126835263
2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol (CID 115066918) is 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol is Cc1ccccc1Cc1nc2c(s1)CC(O)CC2.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The InChIKey is ABOXCQLFQRKRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-4-2-3-5-11(10)8-15-16-13-7-6-12(17)9-14(13)18-15/h2-5,12,17H,6-9H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol has a molecular weight of 259.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol is sourced from PubChem (CID 115066918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).