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

C16H13FN2S — CID 70990406

IUPAC4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(-c3ccc(F)cc3C)nc2)cs1
InChIInChI=1S/C16H13FN2S/c1-10-7-13(17)4-5-14(10)15-6-3-12(8-18-15)16-9-20-11(2)19-16/h3-9H,1-2H3
InChIKeyCHVSPPDHHHMWCN-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.63
Rot. Bonds2

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

4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole (PubChem CID 70990406) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole
PubChem CID70990406
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC Name4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(-c3ccc(F)cc3C)nc2)cs1
InChIInChI=1S/C16H13FN2S/c1-10-7-13(17)4-5-14(10)15-6-3-12(8-18-15)16-9-20-11(2)19-16/h3-9H,1-2H3
InChIKeyCHVSPPDHHHMWCN-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole (CID 70990406) is 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(-c3ccc(F)cc3C)nc2)cs1.
What is the InChIKey of 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole?
The InChIKey is CHVSPPDHHHMWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c1-10-7-13(17)4-5-14(10)15-6-3-12(8-18-15)16-9-20-11(2)19-16/h3-9H,1-2H3.
What are the key properties of 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole?
4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole has a molecular weight of 284.36 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 70990406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).