ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C21H22N2O6S — CID 21046465

IUPACethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Cc3cc(OC)ccc3OC)o2)n1
InChIInChI=1S/C21H22N2O6S/c1-4-28-19(24)11-14-12-30-21(22-14)23-20(25)18-8-6-16(29-18)10-13-9-15(26-2)5-7-17(13)27-3/h5-9,12H,4,10-11H2,1-3H3,(H,22,23,25)
InChIKeyGXRQUHAWYQDZDV-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.70
Rot. Bonds9

About ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 21046465) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID21046465
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Nameethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Cc3cc(OC)ccc3OC)o2)n1
InChIInChI=1S/C21H22N2O6S/c1-4-28-19(24)11-14-12-30-21(22-14)23-20(25)18-8-6-16(29-18)10-13-9-15(26-2)5-7-17(13)27-3/h5-9,12H,4,10-11H2,1-3H3,(H,22,23,25)
InChIKeyGXRQUHAWYQDZDV-UHFFFAOYSA-N
XLogP3.70
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
ethyl 2-[2-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19458910
ethyl 2-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetate
CID 1083515
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
N-(4-methyl-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048045
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
ethyl 2-[2-[3-(3-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 24620243
5-[(2,5-dimethoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)furan-2-carboxamide
CID 21045991
ethyl 2-[2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119672760
ethyl 2-[2-[[5-[(2-hexylanilino)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 145485645
ethyl 2-[2-[(3-methoxybenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate
CID 18822966
N-(2-carbamoylphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 21046465) is ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(Cc3cc(OC)ccc3OC)o2)n1.
What is the InChIKey of ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is GXRQUHAWYQDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c1-4-28-19(24)11-14-12-30-21(22-14)23-20(25)18-8-6-16(29-18)10-13-9-15(26-2)5-7-17(13)27-3/h5-9,12H,4,10-11H2,1-3H3,(H,22,23,25).
What are the key properties of ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 430.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 21046465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).