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

C18H16F2N2OS — CID 58955435

IUPAC4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccc(F)cc2F)c2csc(N)n2)cc1
InChIInChI=1S/C18H16F2N2OS/c1-23-14-6-3-11(4-7-14)15(17-10-24-18(21)22-17)8-12-2-5-13(19)9-16(12)20/h2-7,9-10,15H,8H2,1H3,(H2,21,22)
InChIKeyKJNVVYUBIGYWIO-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.39
Rot. Bonds5

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

4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 58955435) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID58955435
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccc(F)cc2F)c2csc(N)n2)cc1
InChIInChI=1S/C18H16F2N2OS/c1-23-14-6-3-11(4-7-14)15(17-10-24-18(21)22-17)8-12-2-5-13(19)9-16(12)20/h2-7,9-10,15H,8H2,1H3,(H2,21,22)
InChIKeyKJNVVYUBIGYWIO-UHFFFAOYSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (CID 58955435) is 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is COc1ccc(C(Cc2ccc(F)cc2F)c2csc(N)n2)cc1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is KJNVVYUBIGYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS/c1-23-14-6-3-11(4-7-14)15(17-10-24-18(21)22-17)8-12-2-5-13(19)9-16(12)20/h2-7,9-10,15H,8H2,1H3,(H2,21,22).
What are the key properties of 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 346.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)-1-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58955435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).