4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine

C25H25N3S — CID 10200958

IUPAC4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NCCc3ccccc3)c2)s1
InChIInChI=1S/C25H25N3S/c1-3-23-28-24(20-11-7-8-18(2)16-20)25(29-23)21-13-15-27-22(17-21)26-14-12-19-9-5-4-6-10-19/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,26,27)
InChIKeyJTCRXCUZFFTNJZ-UHFFFAOYSA-N
MW399.56 g/mol
LogP6.40
Rot. Bonds7

About 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine

4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 10200958) has the molecular formula C25H25N3S and a molecular weight of 399.56 g/mol. Its IUPAC name is 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
PubChem CID10200958
Molecular FormulaC25H25N3S
Molecular Weight399.56 g/mol
Exact Mass399.18
IUPAC Name4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
SMILESCCc1nc(-c2cccc(C)c2)c(-c2ccnc(NCCc3ccccc3)c2)s1
InChIInChI=1S/C25H25N3S/c1-3-23-28-24(20-11-7-8-18(2)16-20)25(29-23)21-13-15-27-22(17-21)26-14-12-19-9-5-4-6-10-19/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,26,27)
InChIKeyJTCRXCUZFFTNJZ-UHFFFAOYSA-N
XLogP6.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.56
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-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-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine (CID 10200958) is 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine is CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NCCc3ccccc3)c2)s1.
What is the InChIKey of 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is JTCRXCUZFFTNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3S/c1-3-23-28-24(20-11-7-8-18(2)16-20)25(29-23)21-13-15-27-22(17-21)26-14-12-19-9-5-4-6-10-19/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,26,27).
What are the key properties of 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine?
4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 399.56 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 10200958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).