4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine

C15H20N2O2S — CID 58442382

IUPAC4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
SMILESCOCCCOc1cc(C)c(-c2csc(N)n2)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-10-7-12(19-6-4-5-18-3)8-11(2)14(10)13-9-20-15(16)17-13/h7-9H,4-6H2,1-3H3,(H2,16,17)
InChIKeyFKCYCGVPZMHGMN-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.42
Rot. Bonds6

About 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine

4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine (PubChem CID 58442382) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
PubChem CID58442382
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
SMILESCOCCCOc1cc(C)c(-c2csc(N)n2)c(C)c1
InChIInChI=1S/C15H20N2O2S/c1-10-7-12(19-6-4-5-18-3)8-11(2)14(10)13-9-20-15(16)17-13/h7-9H,4-6H2,1-3H3,(H2,16,17)
InChIKeyFKCYCGVPZMHGMN-UHFFFAOYSA-N
XLogP3.42
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-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-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine (CID 58442382) is 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine is COCCCOc1cc(C)c(-c2csc(N)n2)c(C)c1.
What is the InChIKey of 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine?
The InChIKey is FKCYCGVPZMHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-7-12(19-6-4-5-18-3)8-11(2)14(10)13-9-20-15(16)17-13/h7-9H,4-6H2,1-3H3,(H2,16,17).
What are the key properties of 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine?
4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58442382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).