4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine

C15H19FN2S — CID 2798330

IUPAC4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine
SMILESC=C1SC(Nc2ccc(F)c(C)c2)=NC1(CC)CC
InChIInChI=1S/C15H19FN2S/c1-5-15(6-2)11(4)19-14(18-15)17-12-7-8-13(16)10(3)9-12/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyQLYYYERGGQUVIJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.72
Rot. Bonds3

About 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine

4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine (PubChem CID 2798330) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine
PubChem CID2798330
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine
SMILESC=C1SC(Nc2ccc(F)c(C)c2)=NC1(CC)CC
InChIInChI=1S/C15H19FN2S/c1-5-15(6-2)11(4)19-14(18-15)17-12-7-8-13(16)10(3)9-12/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyQLYYYERGGQUVIJ-UHFFFAOYSA-N
XLogP4.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine (CID 2798330) is 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine is C=C1SC(Nc2ccc(F)c(C)c2)=NC1(CC)CC.
What is the InChIKey of 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine?
The InChIKey is QLYYYERGGQUVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-5-15(6-2)11(4)19-14(18-15)17-12-7-8-13(16)10(3)9-12/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine?
4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine has a molecular weight of 278.40 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-(4-fluoro-3-methylphenyl)-5-methylidene-1,3-thiazol-2-amine is sourced from PubChem (CID 2798330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).