2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C16H17NO2S — CID 65406177

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(C3COc4ccccc4C3)sc21
InChIInChI=1S/C16H17NO2S/c18-13-6-3-5-12-15(13)20-16(17-12)11-8-10-4-1-2-7-14(10)19-9-11/h1-2,4,7,11,13,18H,3,5-6,8-9H2
InChIKeyUGFHPAIOHWVSPG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.23
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 65406177) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID65406177
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(C3COc4ccccc4C3)sc21
InChIInChI=1S/C16H17NO2S/c18-13-6-3-5-12-15(13)20-16(17-12)11-8-10-4-1-2-7-14(10)19-9-11/h1-2,4,7,11,13,18H,3,5-6,8-9H2
InChIKeyUGFHPAIOHWVSPG-UHFFFAOYSA-N
XLogP3.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 65405985
1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone
CID 65404995
2-(3-methylcyclopentyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 65415633
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 65351619
1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
CID 65404041
2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid
CID 65408477
2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 65415632
3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol
CID 14339272
2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753483
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
2-(1,4-dithian-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 79966843
2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62715538

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 65406177) is 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1CCCc2nc(C3COc4ccccc4C3)sc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is UGFHPAIOHWVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-13-6-3-5-12-15(13)20-16(17-12)11-8-10-4-1-2-7-14(10)19-9-11/h1-2,4,7,11,13,18H,3,5-6,8-9H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 287.38 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 65406177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).