5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

C15H12FN3S — CID 58496115

IUPAC5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3cccnc3)c(F)s2)cc1
InChIInChI=1S/C15H12FN3S/c1-10-4-6-12(7-5-10)18-15-19-13(14(16)20-15)11-3-2-8-17-9-11/h2-9H,1H3,(H,18,19)
InChIKeyFXCMMTNWVQKEMY-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.40
Rot. Bonds3

About 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58496115) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58496115
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3cccnc3)c(F)s2)cc1
InChIInChI=1S/C15H12FN3S/c1-10-4-6-12(7-5-10)18-15-19-13(14(16)20-15)11-3-2-8-17-9-11/h2-9H,1H3,(H,18,19)
InChIKeyFXCMMTNWVQKEMY-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58496115) is 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3cccnc3)c(F)s2)cc1.
What is the InChIKey of 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is FXCMMTNWVQKEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c1-10-4-6-12(7-5-10)18-15-19-13(14(16)20-15)11-3-2-8-17-9-11/h2-9H,1H3,(H,18,19).
What are the key properties of 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 285.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58496115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).