N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide

C26H24N2O3S2 — CID 10050685

IUPACN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
SMILESCOc1ccc(-c2nc(CNC(=O)CSc3ccccc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N2O3S2/c1-30-20-12-8-18(9-13-20)25-26(19-10-14-21(31-2)15-11-19)33-24(28-25)16-27-23(29)17-32-22-6-4-3-5-7-22/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyVHTQLHGCOZFBSU-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.90
Rot. Bonds9

About N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide (PubChem CID 10050685) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
PubChem CID10050685
Molecular FormulaC26H24N2O3S2
Molecular Weight476.62 g/mol
Exact Mass476.12
IUPAC NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
SMILESCOc1ccc(-c2nc(CNC(=O)CSc3ccccc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N2O3S2/c1-30-20-12-8-18(9-13-20)25-26(19-10-14-21(31-2)15-11-19)33-24(28-25)16-27-23(29)17-32-22-6-4-3-5-7-22/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyVHTQLHGCOZFBSU-UHFFFAOYSA-N
XLogP5.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide 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 N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide (CID 10050685) is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide is COc1ccc(-c2nc(CNC(=O)CSc3ccccc3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide?
The InChIKey is VHTQLHGCOZFBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c1-30-20-12-8-18(9-13-20)25-26(19-10-14-21(31-2)15-11-19)33-24(28-25)16-27-23(29)17-32-22-6-4-3-5-7-22/h3-15H,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide?
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide has a molecular weight of 476.62 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 10050685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).