4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide

C16H19N3O4S — CID 53158355

IUPAC4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
SMILESCCNC(=O)c1nc(C(=O)NCc2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C16H19N3O4S/c1-4-17-15(21)16-19-11(9-24-16)14(20)18-8-10-5-6-12(22-2)13(7-10)23-3/h5-7,9H,4,8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyUQGNSJRLRYMBOJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.84
Rot. Bonds7

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

4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide (PubChem CID 53158355) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
PubChem CID53158355
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
SMILESCCNC(=O)c1nc(C(=O)NCc2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C16H19N3O4S/c1-4-17-15(21)16-19-11(9-24-16)14(20)18-8-10-5-6-12(22-2)13(7-10)23-3/h5-7,9H,4,8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyUQGNSJRLRYMBOJ-UHFFFAOYSA-N
XLogP1.84
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3757058
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158291
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383812
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119747520
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370
2-(2-aminoethyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120626306
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
4-[[(3,4-dimethoxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103238935
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109309886

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide (CID 53158355) is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide is CCNC(=O)c1nc(C(=O)NCc2ccc(OC)c(OC)c2)cs1.
What is the InChIKey of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is UQGNSJRLRYMBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-4-17-15(21)16-19-11(9-24-16)14(20)18-8-10-5-6-12(22-2)13(7-10)23-3/h5-7,9H,4,8H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide?
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 53158355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).