ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate

C18H15N3O4S2 — CID 8978422

IUPACethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(Cc3csc(-c4ccsc4)n3)c(=O)c12
InChIInChI=1S/C18H15N3O4S2/c1-3-24-18(23)13-10(2)25-15-14(13)17(22)21(9-19-15)6-12-8-27-16(20-12)11-4-5-26-7-11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyRGYCYQUTESOJKO-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.71
Rot. Bonds5

About ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 8978422) has the molecular formula C18H15N3O4S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID8978422
Molecular FormulaC18H15N3O4S2
Molecular Weight401.47 g/mol
Exact Mass401.05
IUPAC Nameethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(Cc3csc(-c4ccsc4)n3)c(=O)c12
InChIInChI=1S/C18H15N3O4S2/c1-3-24-18(23)13-10(2)25-15-14(13)17(22)21(9-19-15)6-12-8-27-16(20-12)11-4-5-26-7-11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyRGYCYQUTESOJKO-UHFFFAOYSA-N
XLogP3.71
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 8978422) is ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncn(Cc3csc(-c4ccsc4)n3)c(=O)c12.
What is the InChIKey of ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is RGYCYQUTESOJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S2/c1-3-24-18(23)13-10(2)25-15-14(13)17(22)21(9-19-15)6-12-8-27-16(20-12)11-4-5-26-7-11/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 8978422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).