methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate

C18H16N2O5S — CID 134018957

IUPACmethyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2csc(-c3ccco3)n2)ccc1OC
InChIInChI=1S/C18H16N2O5S/c1-23-14-6-5-11(8-12(14)18(22)24-2)9-19-16(21)13-10-26-17(20-13)15-4-3-7-25-15/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyNHFYMCSSFJQUKH-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.13
Rot. Bonds6

About methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate

methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate (PubChem CID 134018957) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate
PubChem CID134018957
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Namemethyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2csc(-c3ccco3)n2)ccc1OC
InChIInChI=1S/C18H16N2O5S/c1-23-14-6-5-11(8-12(14)18(22)24-2)9-19-16(21)13-10-26-17(20-13)15-4-3-7-25-15/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyNHFYMCSSFJQUKH-UHFFFAOYSA-N
XLogP3.13
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 46546819
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
methyl 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 110934897
(4-cyano-2-methoxyphenyl) 2-(furan-2-yl)-1,3-thiazole-4-carboxylate
CID 36766660
2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111115525
methyl 5-[[(1-chloroisoquinoline-3-carbonyl)amino]methyl]-2-methoxybenzoate
CID 55666490
methyl 5-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-2-methoxybenzoate
CID 60527853
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36862622
2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 55748162
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate (CID 134018957) is methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2csc(-c3ccco3)n2)ccc1OC.
What is the InChIKey of methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate?
The InChIKey is NHFYMCSSFJQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-23-14-6-5-11(8-12(14)18(22)24-2)9-19-16(21)13-10-26-17(20-13)15-4-3-7-25-15/h3-8,10H,9H2,1-2H3,(H,19,21).
What are the key properties of methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate?
methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate has a molecular weight of 372.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 134018957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).