methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

C15H12N2O2S2 — CID 856427

IUPACmethyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C15H12N2O2S2/c1-19-12(18)8-21-15-13-11(10-5-3-2-4-6-10)7-20-14(13)16-9-17-15/h2-7,9H,8H2,1H3
InChIKeyGSJZDBNDELCNEI-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (PubChem CID 856427) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
PubChem CID856427
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Namemethyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C15H12N2O2S2/c1-19-12(18)8-21-15-13-11(10-5-3-2-4-6-10)7-20-14(13)16-9-17-15/h2-7,9H,8H2,1H3
InChIKeyGSJZDBNDELCNEI-UHFFFAOYSA-N
XLogP3.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
Ttp 22
CID 1536915
1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
5-methyl-N-[(1S)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 10923591
2-({5-Phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 724891
2-((6-Phenylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 725214
4-Chloro-5-(4-methylphenyl)thieno(2,3-d)pyrimidine
CID 708732
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
({6-[4-(Methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 56675920
Sgc-stk17B-1
CID 145994861

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate (CID 856427) is methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
The InChIKey is GSJZDBNDELCNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-19-12(18)8-21-15-13-11(10-5-3-2-4-6-10)7-20-14(13)16-9-17-15/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate?
methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate has a molecular weight of 316.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 856427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).