2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C14H15NO2S — CID 64976505

IUPAC2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCOc1cccc(-c2nc3c(s2)CCCC3O)c1
InChIInChI=1S/C14H15NO2S/c1-17-10-5-2-4-9(8-10)14-15-13-11(16)6-3-7-12(13)18-14/h2,4-5,8,11,16H,3,6-7H2,1H3
InChIKeyTUKXGKJTOICXAE-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.19
Rot. Bonds2

About 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976505) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976505
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCOc1cccc(-c2nc3c(s2)CCCC3O)c1
InChIInChI=1S/C14H15NO2S/c1-17-10-5-2-4-9(8-10)14-15-13-11(16)6-3-7-12(13)18-14/h2,4-5,8,11,16H,3,6-7H2,1H3
InChIKeyTUKXGKJTOICXAE-UHFFFAOYSA-N
XLogP3.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976587
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55032419
2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976502
2-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976442
2-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976625
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82437265
(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129391570
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255
2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 82301119
5-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410311
2-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 103399648
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437261

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976505) is 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is COc1cccc(-c2nc3c(s2)CCCC3O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is TUKXGKJTOICXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-10-5-2-4-9(8-10)14-15-13-11(16)6-3-7-12(13)18-14/h2,4-5,8,11,16H,3,6-7H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 261.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).