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

C20H22N2O5S — CID 654679

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide
SMILESCOCCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C20H22N2O5S/c1-24-10-5-9-22(19(23)18-6-4-11-27-18)20-21-16(13-28-20)15-12-14(25-2)7-8-17(15)26-3/h4,6-8,11-13H,5,9-10H2,1-3H3
InChIKeyPRBDFWUIQWEQOO-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.10
Rot. Bonds9

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide (PubChem CID 654679) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide
PubChem CID654679
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide
SMILESCOCCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1
InChIInChI=1S/C20H22N2O5S/c1-24-10-5-9-22(19(23)18-6-4-11-27-18)20-21-16(13-28-20)15-12-14(25-2)7-8-17(15)26-3/h4,6-8,11-13H,5,9-10H2,1-3H3
InChIKeyPRBDFWUIQWEQOO-UHFFFAOYSA-N
XLogP4.10
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-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-(3-methoxypropyl)furan-2-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide (CID 654679) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide is COCCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide?
The InChIKey is PRBDFWUIQWEQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-24-10-5-9-22(19(23)18-6-4-11-27-18)20-21-16(13-28-20)15-12-14(25-2)7-8-17(15)26-3/h4,6-8,11-13H,5,9-10H2,1-3H3.
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)furan-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.10, 9 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-(3-methoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 654679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).