4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine

C17H16N2O2S — CID 3564101

IUPAC4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C17H16N2O2S/c1-20-15-9-8-12(10-16(15)21-2)14-11-22-17(19-14)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
InChIKeyUVNQSVBCMWLCRB-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.57
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine

4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 3564101) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID3564101
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C17H16N2O2S/c1-20-15-9-8-12(10-16(15)21-2)14-11-22-17(19-14)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
InChIKeyUVNQSVBCMWLCRB-UHFFFAOYSA-N
XLogP4.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine (CID 3564101) is 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccccc3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is UVNQSVBCMWLCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-20-15-9-8-12(10-16(15)21-2)14-11-22-17(19-14)18-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 312.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3564101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).