4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine

C24H22N2S — CID 143120043

IUPAC4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C(Cc2ccccc2-c2ccccc2)c2csc(N)n2)cc1
InChIInChI=1S/C24H22N2S/c1-17-11-13-19(14-12-17)22(23-16-27-24(25)26-23)15-20-9-5-6-10-21(20)18-7-3-2-4-8-18/h2-14,16,22H,15H2,1H3,(H2,25,26)
InChIKeyXLBISBDEHDTFQR-UHFFFAOYSA-N
MW370.52 g/mol
LogP6.08
Rot. Bonds5

About 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine

4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 143120043) has the molecular formula C24H22N2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID143120043
Molecular FormulaC24H22N2S
Molecular Weight370.52 g/mol
Exact Mass370.15
IUPAC Name4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C(Cc2ccccc2-c2ccccc2)c2csc(N)n2)cc1
InChIInChI=1S/C24H22N2S/c1-17-11-13-19(14-12-17)22(23-16-27-24(25)26-23)15-20-9-5-6-10-21(20)18-7-3-2-4-8-18/h2-14,16,22H,15H2,1H3,(H2,25,26)
InChIKeyXLBISBDEHDTFQR-UHFFFAOYSA-N
XLogP6.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine (CID 143120043) is 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine is Cc1ccc(C(Cc2ccccc2-c2ccccc2)c2csc(N)n2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is XLBISBDEHDTFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2S/c1-17-11-13-19(14-12-17)22(23-16-27-24(25)26-23)15-20-9-5-6-10-21(20)18-7-3-2-4-8-18/h2-14,16,22H,15H2,1H3,(H2,25,26).
What are the key properties of 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine?
4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 370.52 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)-2-(2-phenylphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 143120043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).