2-benzylsulfanyl-1,3-benzothiazol-6-ol

C14H11NOS2 — CID 14749857

IUPAC2-benzylsulfanyl-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(SCc3ccccc3)sc2c1
InChIInChI=1S/C14H11NOS2/c16-11-6-7-12-13(8-11)18-14(15-12)17-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyFBYKBCGGJIGHFQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.29
Rot. Bonds3

About 2-benzylsulfanyl-1,3-benzothiazol-6-ol

2-benzylsulfanyl-1,3-benzothiazol-6-ol (PubChem CID 14749857) has the molecular formula C14H11NOS2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-benzylsulfanyl-1,3-benzothiazol-6-ol
PubChem CID14749857
Molecular FormulaC14H11NOS2
Molecular Weight273.38 g/mol
Exact Mass273.03
IUPAC Name2-benzylsulfanyl-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(SCc3ccccc3)sc2c1
InChIInChI=1S/C14H11NOS2/c16-11-6-7-12-13(8-11)18-14(15-12)17-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyFBYKBCGGJIGHFQ-UHFFFAOYSA-N
XLogP4.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-chlorobenzamide
CID 3542038
4-[(6-amino-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoic acid
CID 2880608
N-[3-[2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24635740
2-[(4-butan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole
CID 59651448
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrrole-2,5-diol
CID 54251376
2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
CID 53306902
2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
CID 117097310
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide
CID 3886364
N-[2-[(4-methylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide
CID 23613262
2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850378
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione
CID 4235792
[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-cyclohexylmethanol
CID 70165986

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1,3-benzothiazol-6-ol?
The IUPAC name of 2-benzylsulfanyl-1,3-benzothiazol-6-ol (CID 14749857) is 2-benzylsulfanyl-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-benzylsulfanyl-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-benzylsulfanyl-1,3-benzothiazol-6-ol is Oc1ccc2nc(SCc3ccccc3)sc2c1.
What is the InChIKey of 2-benzylsulfanyl-1,3-benzothiazol-6-ol?
The InChIKey is FBYKBCGGJIGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS2/c16-11-6-7-12-13(8-11)18-14(15-12)17-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of 2-benzylsulfanyl-1,3-benzothiazol-6-ol?
2-benzylsulfanyl-1,3-benzothiazol-6-ol has a molecular weight of 273.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1,3-benzothiazol-6-ol is sourced from PubChem (CID 14749857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).