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

C15H12FN3S — CID 751841

IUPAC4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(Nc3ccccn3)n2)ccc1F
InChIInChI=1S/C15H12FN3S/c1-10-8-11(5-6-12(10)16)13-9-20-15(18-13)19-14-4-2-3-7-17-14/h2-9H,1H3,(H,17,18,19)
InChIKeyQWTZENAUTYOWOI-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.40
Rot. Bonds3

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

4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 751841) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID751841
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(Nc3ccccn3)n2)ccc1F
InChIInChI=1S/C15H12FN3S/c1-10-8-11(5-6-12(10)16)13-9-20-15(18-13)19-14-4-2-3-7-17-14/h2-9H,1H3,(H,17,18,19)
InChIKeyQWTZENAUTYOWOI-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 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 751841) is 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1cc(-c2csc(Nc3ccccn3)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is QWTZENAUTYOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c1-10-8-11(5-6-12(10)16)13-9-20-15(18-13)19-14-4-2-3-7-17-14/h2-9H,1H3,(H,17,18,19).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(4-fluoro-3-methylphenyl)-N-pyridin-2-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 4-(4-fluoro-3-methylphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 751841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).