2-bromo-1,3-benzothiazol-4-ol

C7H4BrNOS — CID 73012532

IUPAC2-bromo-1,3-benzothiazol-4-ol
SMILESOc1cccc2sc(Br)nc12
InChIInChI=1S/C7H4BrNOS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H
InChIKeyOVTAINLQDIHKSW-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.76
Rot. Bonds

About 2-bromo-1,3-benzothiazol-4-ol

2-bromo-1,3-benzothiazol-4-ol (PubChem CID 73012532) has the molecular formula C7H4BrNOS and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-bromo-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-bromo-1,3-benzothiazol-4-ol
PubChem CID73012532
Molecular FormulaC7H4BrNOS
Molecular Weight230.09 g/mol
Exact Mass228.92
IUPAC Name2-bromo-1,3-benzothiazol-4-ol
SMILESOc1cccc2sc(Br)nc12
InChIInChI=1S/C7H4BrNOS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H
InChIKeyOVTAINLQDIHKSW-UHFFFAOYSA-N
XLogP2.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-1,3-benzothiazol-4-yl)ethanol
CID 18984453
2-propyl-1,3-benzothiazol-4-ol
CID 82190216
2-bromo-4-(difluoromethyl)-1,3-benzothiazole
CID 141261233
2-(4-aminophenyl)-1,3-benzothiazol-4-ol
CID 10752678
4-hydroxy-N,N-dimethyl-1,3-benzothiazole-2-carboxamide
CID 45076989
2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol
CID 10824205
2-bromo-1,3-benzothiazol-7-ol
CID 91798978
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol
CID 728477
2,4-dibromoquinazolin-8-ol
CID 175262476
2-bromo-1,3-benzothiazole;hydrazine
CID 174709808
2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol
CID 134180701
N-(4-bromo-1,3-benzothiazol-2-yl)benzamide
CID 7202695

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-benzothiazol-4-ol?
The IUPAC name of 2-bromo-1,3-benzothiazol-4-ol (CID 73012532) is 2-bromo-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-bromo-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-bromo-1,3-benzothiazol-4-ol is Oc1cccc2sc(Br)nc12.
What is the InChIKey of 2-bromo-1,3-benzothiazol-4-ol?
The InChIKey is OVTAINLQDIHKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNOS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H.
What are the key properties of 2-bromo-1,3-benzothiazol-4-ol?
2-bromo-1,3-benzothiazol-4-ol has a molecular weight of 230.09 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-benzothiazol-4-ol is sourced from PubChem (CID 73012532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).