2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C20H22N2O5S — CID 55748162

IUPAC2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2csc(-c3ccco3)n2)cc1OC
InChIInChI=1S/C20H22N2O5S/c1-13(14-6-7-16(18(11-14)25-3)27-10-9-24-2)21-19(23)15-12-28-20(22-15)17-5-4-8-26-17/h4-8,11-13H,9-10H2,1-3H3,(H,21,23)
InChIKeyPTOCYTOFPAUCHU-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.93
Rot. Bonds9

About 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 55748162) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID55748162
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2csc(-c3ccco3)n2)cc1OC
InChIInChI=1S/C20H22N2O5S/c1-13(14-6-7-16(18(11-14)25-3)27-10-9-24-2)21-19(23)15-12-28-20(22-15)17-5-4-8-26-17/h4-8,11-13H,9-10H2,1-3H3,(H,21,23)
InChIKeyPTOCYTOFPAUCHU-UHFFFAOYSA-N
XLogP3.93
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 48577876
2-(aminomethyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119722954
2-(3,4-dimethoxyphenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 24502013
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55748601
methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate
CID 134018957
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36862622
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 78882069
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
2-(furan-2-yl)-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51932949
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 55748162) is 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide is COCCOc1ccc(C(C)NC(=O)c2csc(-c3ccco3)n2)cc1OC.
What is the InChIKey of 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PTOCYTOFPAUCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-13(14-6-7-16(18(11-14)25-3)27-10-9-24-2)21-19(23)15-12-28-20(22-15)17-5-4-8-26-17/h4-8,11-13H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55748162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).