4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

C19H19N3O3S2 — CID 3795408

IUPAC4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(=S)n(-c3ccc(OC)cc3)c2N)cc1
InChIInChI=1S/C19H19N3O3S2/c1-24-14-7-3-12(4-8-14)11-21-18(23)16-17(20)22(19(26)27-16)13-5-9-15(25-2)10-6-13/h3-10H,11,20H2,1-2H3,(H,21,23)
InChIKeyQIEMTSZIFPFOMP-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.80
Rot. Bonds6

About 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 3795408) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID3795408
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(=S)n(-c3ccc(OC)cc3)c2N)cc1
InChIInChI=1S/C19H19N3O3S2/c1-24-14-7-3-12(4-8-14)11-21-18(23)16-17(20)22(19(26)27-16)13-5-9-15(25-2)10-6-13/h3-10H,11,20H2,1-2H3,(H,21,23)
InChIKeyQIEMTSZIFPFOMP-UHFFFAOYSA-N
XLogP3.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_B(17)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide 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-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 3795408) is 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is COc1ccc(CNC(=O)c2sc(=S)n(-c3ccc(OC)cc3)c2N)cc1.
What is the InChIKey of 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is QIEMTSZIFPFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-24-14-7-3-12(4-8-14)11-21-18(23)16-17(20)22(19(26)27-16)13-5-9-15(25-2)10-6-13/h3-10H,11,20H2,1-2H3,(H,21,23).
What are the key properties of 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3795408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).