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

C14H14ClNOS — CID 64976349

IUPAC2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(Cc3ccccc3Cl)nc21
InChIInChI=1S/C14H14ClNOS/c15-10-5-2-1-4-9(10)8-13-16-14-11(17)6-3-7-12(14)18-13/h1-2,4-5,11,17H,3,6-8H2
InChIKeyXXJHWTTWVDHRGO-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.76
Rot. Bonds2

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

2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64976349) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64976349
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(Cc3ccccc3Cl)nc21
InChIInChI=1S/C14H14ClNOS/c15-10-5-2-1-4-9(10)8-13-16-14-11(17)6-3-7-12(14)18-13/h1-2,4-5,11,17H,3,6-8H2
InChIKeyXXJHWTTWVDHRGO-UHFFFAOYSA-N
XLogP3.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64976349) is 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is OC1CCCc2sc(Cc3ccccc3Cl)nc21.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is XXJHWTTWVDHRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-10-5-2-1-4-9(10)8-13-16-14-11(17)6-3-7-12(14)18-13/h1-2,4-5,11,17H,3,6-8H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 279.79 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64976349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).