1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole

C23H23FN2S — CID 142189212

IUPAC1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole
SMILESC.Cc1cc(-c2nccs2)ccn1.Cc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H11F.C9H8N2S.CH4/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12;1-7-6-8(2-3-10-7)9-11-4-5-12-9;/h2-9H,1H3;2-6H,1H3;1H4
InChIKeyCOUJXLLWLHWYME-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.95
Rot. Bonds2

About 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole

1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole (PubChem CID 142189212) has the molecular formula C23H23FN2S and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole
PubChem CID142189212
Molecular FormulaC23H23FN2S
Molecular Weight378.52 g/mol
Exact Mass378.16
IUPAC Name1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole
SMILESC.Cc1cc(-c2nccs2)ccn1.Cc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H11F.C9H8N2S.CH4/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12;1-7-6-8(2-3-10-7)9-11-4-5-12-9;/h2-9H,1H3;2-6H,1H3;1H4
InChIKeyCOUJXLLWLHWYME-UHFFFAOYSA-N
XLogP6.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole (CID 142189212) is 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole is C.Cc1cc(-c2nccs2)ccn1.Cc1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is COUJXLLWLHWYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F.C9H8N2S.CH4/c1-10-4-2-5-11(8-10)12-6-3-7-13(14)9-12;1-7-6-8(2-3-10-7)9-11-4-5-12-9;/h2-9H,1H3;2-6H,1H3;1H4.
What are the key properties of 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole?
1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 378.52 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-methylphenyl)benzene;methane;2-(2-methyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 142189212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).