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

C16H20FN3S — CID 131996955

IUPAC4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine
SMILESCc1cc(F)cc(-c2nc(N)sc2N2CCC(C)CC2)c1
InChIInChI=1S/C16H20FN3S/c1-10-3-5-20(6-4-10)15-14(19-16(18)21-15)12-7-11(2)8-13(17)9-12/h7-10H,3-6H2,1-2H3,(H2,18,19)
InChIKeyDLLBHKWUUUOWOF-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.08
Rot. Bonds2

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

4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine (PubChem CID 131996955) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine
PubChem CID131996955
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine
SMILESCc1cc(F)cc(-c2nc(N)sc2N2CCC(C)CC2)c1
InChIInChI=1S/C16H20FN3S/c1-10-3-5-20(6-4-10)15-14(19-16(18)21-15)12-7-11(2)8-13(17)9-12/h7-10H,3-6H2,1-2H3,(H2,18,19)
InChIKeyDLLBHKWUUUOWOF-UHFFFAOYSA-N
XLogP4.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine (CID 131996955) is 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine is Cc1cc(F)cc(-c2nc(N)sc2N2CCC(C)CC2)c1.
What is the InChIKey of 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine?
The InChIKey is DLLBHKWUUUOWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-10-3-5-20(6-4-10)15-14(19-16(18)21-15)12-7-11(2)8-13(17)9-12/h7-10H,3-6H2,1-2H3,(H2,18,19).
What are the key properties of 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine?
4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine has a molecular weight of 305.42 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 131996955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).