ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate

C15H17N3O5S — CID 55821624

IUPACethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CNC(=O)c2ccoc2C)n1
InChIInChI=1S/C15H17N3O5S/c1-3-22-13(20)6-10-8-24-15(17-10)18-12(19)7-16-14(21)11-4-5-23-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyINSJIUUVWKKLHV-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.52
Rot. Bonds7

About ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 55821624) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID55821624
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Nameethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CNC(=O)c2ccoc2C)n1
InChIInChI=1S/C15H17N3O5S/c1-3-22-13(20)6-10-8-24-15(17-10)18-12(19)7-16-14(21)11-4-5-23-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyINSJIUUVWKKLHV-UHFFFAOYSA-N
XLogP1.52
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-3-carboxamide
CID 87012891
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
N-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47051848
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962
2-methyl-N-[4-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide;dihydrochloride
CID 119432117
N-[4-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 60510799
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 55821624) is ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CNC(=O)c2ccoc2C)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is INSJIUUVWKKLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-3-22-13(20)6-10-8-24-15(17-10)18-12(19)7-16-14(21)11-4-5-23-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 351.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(2-methylfuran-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 55821624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).