4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C17H17N3OS — CID 751820

IUPAC4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1C
InChIInChI=1S/C17H17N3OS/c1-11-9-13(7-8-15(11)21-3)14-10-22-17(19-14)20-16-6-4-5-12(2)18-16/h4-10H,1-3H3,(H,18,19,20)
InChIKeyGCJYJDOVBMBSCE-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.57
Rot. Bonds4

About 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 751820) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID751820
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1C
InChIInChI=1S/C17H17N3OS/c1-11-9-13(7-8-15(11)21-3)14-10-22-17(19-14)20-16-6-4-5-12(2)18-16/h4-10H,1-3H3,(H,18,19,20)
InChIKeyGCJYJDOVBMBSCE-UHFFFAOYSA-N
XLogP4.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-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-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 751820) is 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is GCJYJDOVBMBSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11-9-13(7-8-15(11)21-3)14-10-22-17(19-14)20-16-6-4-5-12(2)18-16/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 311.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 751820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).