4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C17H19N3OS — CID 126619428

IUPAC4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(Nc2nc(-c3oc(C)nc3C)cs2)c(C)c1
InChIInChI=1S/C17H19N3OS/c1-9-6-10(2)15(11(3)7-9)20-17-19-14(8-22-17)16-12(4)18-13(5)21-16/h6-8H,1-5H3,(H,19,20)
InChIKeyZFFNCDOHICCJFJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP5.08
Rot. Bonds3

About 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 126619428) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID126619428
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(Nc2nc(-c3oc(C)nc3C)cs2)c(C)c1
InChIInChI=1S/C17H19N3OS/c1-9-6-10(2)15(11(3)7-9)20-17-19-14(8-22-17)16-12(4)18-13(5)21-16/h6-8H,1-5H3,(H,19,20)
InChIKeyZFFNCDOHICCJFJ-UHFFFAOYSA-N
XLogP5.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-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-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 126619428) is 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is Cc1cc(C)c(Nc2nc(-c3oc(C)nc3C)cs2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZFFNCDOHICCJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-9-6-10(2)15(11(3)7-9)20-17-19-14(8-22-17)16-12(4)18-13(5)21-16/h6-8H,1-5H3,(H,19,20).
What are the key properties of 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126619428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).