4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C16H14FN3S — CID 2928055

IUPAC4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)n1
InChIInChI=1S/C16H14FN3S/c1-10-8-12(6-7-13(10)17)14-9-21-16(19-14)20-15-5-3-4-11(2)18-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyKOUHBYHVJLBJNC-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.70
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 2928055) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID2928055
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC Name4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)n1
InChIInChI=1S/C16H14FN3S/c1-10-8-12(6-7-13(10)17)14-9-21-16(19-14)20-15-5-3-4-11(2)18-15/h3-9H,1-2H3,(H,18,19,20)
InChIKeyKOUHBYHVJLBJNC-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.70
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-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 2928055) is 4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)n1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is KOUHBYHVJLBJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c1-10-8-12(6-7-13(10)17)14-9-21-16(19-14)20-15-5-3-4-11(2)18-15/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(4-fluoro-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 299.37 g/mol, XLogP of 4.70, 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-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2928055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).