5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol

C18H13FN2O2S — CID 134182456

IUPAC5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol
SMILESCOc1cnc2c(-c3nc4cc(F)c(O)cc4s3)cc(C)cc2c1
InChIInChI=1S/C18H13FN2O2S/c1-9-3-10-5-11(23-2)8-20-17(10)12(4-9)18-21-14-6-13(19)15(22)7-16(14)24-18/h3-8,22H,1-2H3
InChIKeyZVVKTVQIWGMPIN-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.67
Rot. Bonds2

About 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol

5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol (PubChem CID 134182456) has the molecular formula C18H13FN2O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol
PubChem CID134182456
Molecular FormulaC18H13FN2O2S
Molecular Weight340.38 g/mol
Exact Mass340.07
IUPAC Name5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol
SMILESCOc1cnc2c(-c3nc4cc(F)c(O)cc4s3)cc(C)cc2c1
InChIInChI=1S/C18H13FN2O2S/c1-9-3-10-5-11(23-2)8-20-17(10)12(4-9)18-21-14-6-13(19)15(22)7-16(14)24-18/h3-8,22H,1-2H3
InChIKeyZVVKTVQIWGMPIN-UHFFFAOYSA-N
XLogP4.67
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 12006266
CID 12006266
CID 134182078
CID 134182078
CID 134182295
CID 134182295
CID 134182420
CID 134182420
CID 134182422
CID 134182422
CID 134182460
CID 134182460
CID 134182525
CID 134182525
CID 134182533
CID 134182533
CID 49789164
CID 49789164
CID 155546195
CID 155546195
CID 134180767
CID 134180767
CID 134181120
CID 134181120

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol?
The IUPAC name of 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol (CID 134182456) is 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol is COc1cnc2c(-c3nc4cc(F)c(O)cc4s3)cc(C)cc2c1.
What is the InChIKey of 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol?
The InChIKey is ZVVKTVQIWGMPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S/c1-9-3-10-5-11(23-2)8-20-17(10)12(4-9)18-21-14-6-13(19)15(22)7-16(14)24-18/h3-8,22H,1-2H3.
What are the key properties of 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol?
5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol has a molecular weight of 340.38 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxy-6-methylquinolin-8-yl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 134182456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).