N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C21H18N2O4S2 — CID 645939

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)c1
InChIInChI=1S/C21H18N2O4S2/c1-25-14-7-8-18(26-2)16(11-14)17-13-29-21(22-17)23(12-15-5-3-9-27-15)20(24)19-6-4-10-28-19/h3-11,13H,12H2,1-2H3
InChIKeyRWGYTWUWBNWSAQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.33
Rot. Bonds7

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 645939) has the molecular formula C21H18N2O4S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID645939
Molecular FormulaC21H18N2O4S2
Molecular Weight426.52 g/mol
Exact Mass426.07
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)c1
InChIInChI=1S/C21H18N2O4S2/c1-25-14-7-8-18(26-2)16(11-14)17-13-29-21(22-17)23(12-15-5-3-9-27-15)20(24)19-6-4-10-28-19/h3-11,13H,12H2,1-2H3
InChIKeyRWGYTWUWBNWSAQ-UHFFFAOYSA-N
XLogP5.33
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-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 N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 645939) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is RWGYTWUWBNWSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S2/c1-25-14-7-8-18(26-2)16(11-14)17-13-29-21(22-17)23(12-15-5-3-9-27-15)20(24)19-6-4-10-28-19/h3-11,13H,12H2,1-2H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 645939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).