[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

C16H14N2O4S2 — CID 18092573

IUPAC[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2sc3ncn(C)c(=O)c3c2C)s1
InChIInChI=1S/C16H14N2O4S2/c1-8-4-5-11(23-8)10(19)6-22-16(21)13-9(2)12-14(24-13)17-7-18(3)15(12)20/h4-5,7H,6H2,1-3H3
InChIKeyGNZUBCFIWWGILA-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.71
Rot. Bonds4

About [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 18092573) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID18092573
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2sc3ncn(C)c(=O)c3c2C)s1
InChIInChI=1S/C16H14N2O4S2/c1-8-4-5-11(23-8)10(19)6-22-16(21)13-9(2)12-14(24-13)17-7-18(3)15(12)20/h4-5,7H,6H2,1-3H3
InChIKeyGNZUBCFIWWGILA-UHFFFAOYSA-N
XLogP2.71
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-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

[2-(2,6-dichloroanilino)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 27989079
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 27989744
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18092564
(3-methyl-1,2-oxazol-5-yl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18100063
(3-methoxyphenyl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18168624
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 34877774
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18092585
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55552821
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55424379
ethyl 5-methyl-4-oxo-3-[2-(4-propoxyphenoxy)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 8535164
ethyl 5-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]thiadiazole-4-carboxylate
CID 55671284
ethyl 3-[(6-chloro-3-pyridinyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 38924545

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CID 18092573) is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is Cc1ccc(C(=O)COC(=O)c2sc3ncn(C)c(=O)c3c2C)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is GNZUBCFIWWGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-8-4-5-11(23-8)10(19)6-22-16(21)13-9(2)12-14(24-13)17-7-18(3)15(12)20/h4-5,7H,6H2,1-3H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 18092573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).