4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine

C17H17N3OS — CID 72720313

IUPAC4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Cc2csc(Nc3cnccc3C)n2)c1
InChIInChI=1S/C17H17N3OS/c1-12-6-7-18-10-16(12)20-17-19-14(11-22-17)8-13-4-3-5-15(9-13)21-2/h3-7,9-11H,8H2,1-2H3,(H,19,20)
InChIKeySHRZBODGSDWCGL-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.19
Rot. Bonds5

About 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine

4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 72720313) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine
PubChem CID72720313
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Cc2csc(Nc3cnccc3C)n2)c1
InChIInChI=1S/C17H17N3OS/c1-12-6-7-18-10-16(12)20-17-19-14(11-22-17)8-13-4-3-5-15(9-13)21-2/h3-7,9-11H,8H2,1-2H3,(H,19,20)
InChIKeySHRZBODGSDWCGL-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-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-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine (CID 72720313) is 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine is COc1cccc(Cc2csc(Nc3cnccc3C)n2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is SHRZBODGSDWCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-6-7-18-10-16(12)20-17-19-14(11-22-17)8-13-4-3-5-15(9-13)21-2/h3-7,9-11H,8H2,1-2H3,(H,19,20).
What are the key properties of 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine?
4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 311.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 72720313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).