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

C17H19NOS — CID 63250667

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(C3CCCc4ccccc43)sc21
InChIInChI=1S/C17H19NOS/c19-15-10-4-9-14-16(15)20-17(18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13,15,19H,3-4,6,8-10H2
InChIKeyWTWIFTFHSSYVCS-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.98
Rot. Bonds1

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

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 63250667) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID63250667
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(C3CCCc4ccccc43)sc21
InChIInChI=1S/C17H19NOS/c19-15-10-4-9-14-16(15)20-17(18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13,15,19H,3-4,6,8-10H2
InChIKeyWTWIFTFHSSYVCS-UHFFFAOYSA-N
XLogP3.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 63250667) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1CCCc2nc(C3CCCc4ccccc43)sc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is WTWIFTFHSSYVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-15-10-4-9-14-16(15)20-17(18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13,15,19H,3-4,6,8-10H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 285.41 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 63250667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).