ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C19H18N4O6S — CID 121025946

IUPACethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(NC(=O)c3c[nH]c(=O)n(Cc4ccco4)c3=O)nc21
InChIInChI=1S/C19H18N4O6S/c1-2-28-17(26)11-5-6-13-14(11)21-18(30-13)22-15(24)12-8-20-19(27)23(16(12)25)9-10-4-3-7-29-10/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,20,27)(H,21,22,24)
InChIKeyCNCSLXWSEIBJDO-UHFFFAOYSA-N
MW430.44 g/mol
LogP1.48
Rot. Bonds6

About ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 121025946) has the molecular formula C19H18N4O6S and a molecular weight of 430.44 g/mol. Its IUPAC name is ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID121025946
Molecular FormulaC19H18N4O6S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Nameethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(NC(=O)c3c[nH]c(=O)n(Cc4ccco4)c3=O)nc21
InChIInChI=1S/C19H18N4O6S/c1-2-28-17(26)11-5-6-13-14(11)21-18(30-13)22-15(24)12-8-20-19(27)23(16(12)25)9-10-4-3-7-29-10/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,20,27)(H,21,22,24)
InChIKeyCNCSLXWSEIBJDO-UHFFFAOYSA-N
XLogP1.48
TPSA136.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 121027673
3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
ethyl (4S)-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51894262
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51868465
N-(3-acetamidophenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025685
ethyl 2-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 121084077
3-(furan-2-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025763
ethyl (4R)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51896614
3-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 121025946) is ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(NC(=O)c3c[nH]c(=O)n(Cc4ccco4)c3=O)nc21.
What is the InChIKey of ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is CNCSLXWSEIBJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6S/c1-2-28-17(26)11-5-6-13-14(11)21-18(30-13)22-15(24)12-8-20-19(27)23(16(12)25)9-10-4-3-7-29-10/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,20,27)(H,21,22,24).
What are the key properties of ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 430.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 121025946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).