ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate

C15H13N3O4S2 — CID 84555309

IUPACethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1csc2ncnc(Nc3ccsc3C(=O)OC)c12
InChIInChI=1S/C15H13N3O4S2/c1-3-22-14(19)8-6-24-13-10(8)12(16-7-17-13)18-9-4-5-23-11(9)15(20)21-2/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyMHGSFJVRNBYVOL-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.46
Rot. Bonds5

About ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate

ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate (PubChem CID 84555309) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate
PubChem CID84555309
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Nameethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1csc2ncnc(Nc3ccsc3C(=O)OC)c12
InChIInChI=1S/C15H13N3O4S2/c1-3-22-14(19)8-6-24-13-10(8)12(16-7-17-13)18-9-4-5-23-11(9)15(20)21-2/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyMHGSFJVRNBYVOL-UHFFFAOYSA-N
XLogP3.46
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate (CID 84555309) is ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1csc2ncnc(Nc3ccsc3C(=O)OC)c12.
What is the InChIKey of ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is MHGSFJVRNBYVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-3-22-14(19)8-6-24-13-10(8)12(16-7-17-13)18-9-4-5-23-11(9)15(20)21-2/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxycarbonylthiophen-3-yl)amino]thieno[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 84555309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).