5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol

C13H8ClNO2S — CID 107704631

IUPAC5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc3cccc(Cl)c3s2)c1
InChIInChI=1S/C13H8ClNO2S/c14-10-2-1-3-11-12(10)18-13(15-11)7-4-8(16)6-9(17)5-7/h1-6,16-17H
InChIKeyDEKBXOAVLKDPDS-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.03
Rot. Bonds1

About 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol

5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol (PubChem CID 107704631) has the molecular formula C13H8ClNO2S and a molecular weight of 277.73 g/mol. Its IUPAC name is 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol
PubChem CID107704631
Molecular FormulaC13H8ClNO2S
Molecular Weight277.73 g/mol
Exact Mass277.00
IUPAC Name5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol
SMILESOc1cc(O)cc(-c2nc3cccc(Cl)c3s2)c1
InChIInChI=1S/C13H8ClNO2S/c14-10-2-1-3-11-12(10)18-13(15-11)7-4-8(16)6-9(17)5-7/h1-6,16-17H
InChIKeyDEKBXOAVLKDPDS-UHFFFAOYSA-N
XLogP4.03
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(7-chloro-1,3-benzothiazol-2-yl)aniline
CID 43306332
4-(7-chloro-1,3-benzothiazol-2-yl)-2-nitroaniline
CID 60835566
2-[3-(7-chloro-1,3-benzothiazol-2-yl)phenyl]ethanamine
CID 55237049
2-(7-chloro-1,3-benzothiazol-2-yl)-5-fluoroaniline
CID 43306303
7-chloro-1,3-benzothiazole-2-thiolate
CID 86306807
2-(7-chloro-1,3-benzothiazol-2-yl)-6-methylaniline
CID 43306330
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
1-(7-chloro-1,3-benzothiazol-2-yl)ethanol
CID 79872379
2-(7-chloro-1,3-benzothiazol-2-yl)-4-nitroaniline
CID 43306317
3-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 43087846
4-(5-chloro-1,3-benzothiazol-2-yl)phenol
CID 135600436
2-[4-(7-chloro-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
CID 107495958

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol (CID 107704631) is 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol is Oc1cc(O)cc(-c2nc3cccc(Cl)c3s2)c1.
What is the InChIKey of 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol?
The InChIKey is DEKBXOAVLKDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2S/c14-10-2-1-3-11-12(10)18-13(15-11)7-4-8(16)6-9(17)5-7/h1-6,16-17H.
What are the key properties of 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol?
5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol has a molecular weight of 277.73 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1,3-benzothiazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 107704631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).