6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole

C19H13FN2S — CID 90094679

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C19H13FN2S/c1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-17-18(10-13)23-11-22-17/h2-11H,1H3
InChIKeyRFTIZVKDPKJYKW-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.47
Rot. Bonds2

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole (PubChem CID 90094679) has the molecular formula C19H13FN2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
PubChem CID90094679
Molecular FormulaC19H13FN2S
Molecular Weight320.39 g/mol
Exact Mass320.08
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
SMILESCc1cc(-c2ncccc2-c2ccc3ncsc3c2)ccc1F
InChIInChI=1S/C19H13FN2S/c1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-17-18(10-13)23-11-22-17/h2-11H,1H3
InChIKeyRFTIZVKDPKJYKW-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole (CID 90094679) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole is Cc1cc(-c2ncccc2-c2ccc3ncsc3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is RFTIZVKDPKJYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2S/c1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-17-18(10-13)23-11-22-17/h2-11H,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 320.39 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 90094679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).