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

C17H15FN2OS — CID 5141014

IUPAC4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1
InChIInChI=1S/C17H15FN2OS/c1-11-9-12(3-8-15(11)18)16-10-22-17(20-16)19-13-4-6-14(21-2)7-5-13/h3-10H,1-2H3,(H,19,20)
InChIKeyMJVLBOWNXXCHOG-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.01
Rot. Bonds4

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

4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 5141014) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID5141014
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC Name4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1
InChIInChI=1S/C17H15FN2OS/c1-11-9-12(3-8-15(11)18)16-10-22-17(20-16)19-13-4-6-14(21-2)7-5-13/h3-10H,1-2H3,(H,19,20)
InChIKeyMJVLBOWNXXCHOG-UHFFFAOYSA-N
XLogP5.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.01
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-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 5141014) is 4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(F)c(C)c3)cs2)cc1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is MJVLBOWNXXCHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-11-9-12(3-8-15(11)18)16-10-22-17(20-16)19-13-4-6-14(21-2)7-5-13/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine?
4-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 314.39 g/mol, XLogP of 5.01, 4 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-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 5141014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).