(4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone

C15H10FNO3S — CID 56929162

IUPAC(4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)c3ccc(F)c(O)c3)sc2c1
InChIInChI=1S/C15H10FNO3S/c1-20-9-3-5-11-13(7-9)21-15(17-11)14(19)8-2-4-10(16)12(18)6-8/h2-7,18H,1H3
InChIKeyPKFJPFABNDZIRG-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.38
Rot. Bonds3

About (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone

(4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone (PubChem CID 56929162) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone
PubChem CID56929162
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name(4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)c3ccc(F)c(O)c3)sc2c1
InChIInChI=1S/C15H10FNO3S/c1-20-9-3-5-11-13(7-9)21-15(17-11)14(19)8-2-4-10(16)12(18)6-8/h2-7,18H,1H3
InChIKeyPKFJPFABNDZIRG-UHFFFAOYSA-N
XLogP3.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone (CID 56929162) is (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone is COc1ccc2nc(C(=O)c3ccc(F)c(O)c3)sc2c1.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone?
The InChIKey is PKFJPFABNDZIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c1-20-9-3-5-11-13(7-9)21-15(17-11)14(19)8-2-4-10(16)12(18)6-8/h2-7,18H,1H3.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone?
(4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone has a molecular weight of 303.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-(6-methoxy-1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 56929162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).