2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid

C15H12N2O2S2 — CID 744736

IUPAC2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESCc1ccc(-c2csc3ncnc(SCC(=O)O)c23)cc1
InChIInChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)11-6-20-14-13(11)15(17-8-16-14)21-7-12(18)19/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyGTVPGDGHQCDZLA-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.84
Rot. Bonds4

About 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid

2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid (PubChem CID 744736) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
PubChem CID744736
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
SMILESCc1ccc(-c2csc3ncnc(SCC(=O)O)c23)cc1
InChIInChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)11-6-20-14-13(11)15(17-8-16-14)21-7-12(18)19/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyGTVPGDGHQCDZLA-UHFFFAOYSA-N
XLogP3.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
Sgc-stk17B-1
CID 145994861
Ttp 22
CID 1536915
Methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 856427
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid?
The IUPAC name of 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid (CID 744736) is 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid is Cc1ccc(-c2csc3ncnc(SCC(=O)O)c23)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid?
The InChIKey is GTVPGDGHQCDZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-9-2-4-10(5-3-9)11-6-20-14-13(11)15(17-8-16-14)21-7-12(18)19/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid?
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid has a molecular weight of 316.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid is sourced from PubChem (CID 744736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).