N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

C19H20N2O4S — CID 46546819

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C19H20N2O4S/c1-4-21(11-13-7-8-15(23-2)17(10-13)24-3)19(22)14-12-26-18(20-14)16-6-5-9-25-16/h5-10,12H,4,11H2,1-3H3
InChIKeyLSCWEZRACCNFMV-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.08
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 46546819) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID46546819
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C19H20N2O4S/c1-4-21(11-13-7-8-15(23-2)17(10-13)24-3)19(22)14-12-26-18(20-14)16-6-5-9-25-16/h5-10,12H,4,11H2,1-3H3
InChIKeyLSCWEZRACCNFMV-UHFFFAOYSA-N
XLogP4.08
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43049878
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448
methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate
CID 134018957
(4-cyano-2-methoxyphenyl) 2-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 36766660
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
2-[5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 139995036
N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 137296733
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 46546819) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LSCWEZRACCNFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-21(11-13-7-8-15(23-2)17(10-13)24-3)19(22)14-12-26-18(20-14)16-6-5-9-25-16/h5-10,12H,4,11H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46546819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).