4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine

C18H15F3N2OS — CID 58955375

IUPAC4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccc(F)c(F)c2F)c2csc(N)n2)cc1
InChIInChI=1S/C18H15F3N2OS/c1-24-12-5-2-10(3-6-12)13(15-9-25-18(22)23-15)8-11-4-7-14(19)17(21)16(11)20/h2-7,9,13H,8H2,1H3,(H2,22,23)
InChIKeyQCFKTQHHKMMEBI-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.53
Rot. Bonds5

About 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine

4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 58955375) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID58955375
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccc(F)c(F)c2F)c2csc(N)n2)cc1
InChIInChI=1S/C18H15F3N2OS/c1-24-12-5-2-10(3-6-12)13(15-9-25-18(22)23-15)8-11-4-7-14(19)17(21)16(11)20/h2-7,9,13H,8H2,1H3,(H2,22,23)
InChIKeyQCFKTQHHKMMEBI-UHFFFAOYSA-N
XLogP4.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine (CID 58955375) is 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine is COc1ccc(C(Cc2ccc(F)c(F)c2F)c2csc(N)n2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is QCFKTQHHKMMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c1-24-12-5-2-10(3-6-12)13(15-9-25-18(22)23-15)8-11-4-7-14(19)17(21)16(11)20/h2-7,9,13H,8H2,1H3,(H2,22,23).
What are the key properties of 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine?
4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 364.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-2-(2,3,4-trifluorophenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58955375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).