ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate

C18H18N2O3S2 — CID 44636139

IUPACethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
SMILESCCOC(=O)C(C)Sc1ncnc2scc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C18H18N2O3S2/c1-4-23-18(21)11(2)25-17-15-14(9-24-16(15)19-10-20-17)12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3
InChIKeyPUKCIZWBELGXIQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.41
Rot. Bonds6

About ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate

ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate (PubChem CID 44636139) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
PubChem CID44636139
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Nameethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
SMILESCCOC(=O)C(C)Sc1ncnc2scc(-c3ccc(OC)cc3)c12
InChIInChI=1S/C18H18N2O3S2/c1-4-23-18(21)11(2)25-17-15-14(9-24-16(15)19-10-20-17)12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3
InChIKeyPUKCIZWBELGXIQ-UHFFFAOYSA-N
XLogP4.41
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate 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-methylpropyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
CID 4070547
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid
CID 3471376
2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetonitrile
CID 7674256
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate
CID 3471375
5-(4-methoxyphenyl)-4-prop-2-enylsulfanylthieno[2,3-d]pyrimidine
CID 7674257
ethyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 725222
ethyl 3-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
CID 51355954
(2S)-1-N-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine
CID 166304017
N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide
CID 46623153
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 725229
N-(3-ethoxypropyl)-5-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 24623849
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28841900

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate?
The IUPAC name of ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate (CID 44636139) is ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate.
What is the SMILES notation for ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate?
The canonical SMILES for ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate is CCOC(=O)C(C)Sc1ncnc2scc(-c3ccc(OC)cc3)c12.
What is the InChIKey of ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate?
The InChIKey is PUKCIZWBELGXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-4-23-18(21)11(2)25-17-15-14(9-24-16(15)19-10-20-17)12-5-7-13(22-3)8-6-12/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate?
ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate has a molecular weight of 374.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate is sourced from PubChem (CID 44636139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).