2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole

C16H12FNOS — CID 17412549

IUPAC2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCOc1ccc(/C=C(\F)c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H12FNOS/c1-19-12-8-6-11(7-9-12)10-13(17)16-18-14-4-2-3-5-15(14)20-16/h2-10H,1H3/b13-10-
InChIKeyBBRWUNSRCSYGNT-RAXLEYEMSA-N
MW285.34 g/mol
LogP4.77
Rot. Bonds3

About 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole

2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole (PubChem CID 17412549) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole
PubChem CID17412549
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole
SMILESCOc1ccc(/C=C(\F)c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H12FNOS/c1-19-12-8-6-11(7-9-12)10-13(17)16-18-14-4-2-3-5-15(14)20-16/h2-10H,1H3/b13-10-
InChIKeyBBRWUNSRCSYGNT-RAXLEYEMSA-N
XLogP4.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole (CID 17412549) is 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole is COc1ccc(/C=C(\F)c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is BBRWUNSRCSYGNT-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H12FNOS/c1-19-12-8-6-11(7-9-12)10-13(17)16-18-14-4-2-3-5-15(14)20-16/h2-10H,1H3/b13-10-.
What are the key properties of 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole?
2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 285.34 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 17412549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).