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

C14H10N2O2S2 — CID 724891

IUPAC2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C14H10N2O2S2/c17-11(18)7-20-14-12-10(9-4-2-1-3-5-9)6-19-13(12)15-8-16-14/h1-6,8H,7H2,(H,17,18)
InChIKeyNHKGPOMUILRMLW-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.54
Rot. Bonds4

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

2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 724891) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID724891
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESO=C(O)CSc1ncnc2scc(-c3ccccc3)c12
InChIInChI=1S/C14H10N2O2S2/c17-11(18)7-20-14-12-10(9-4-2-1-3-5-9)6-19-13(12)15-8-16-14/h1-6,8H,7H2,(H,17,18)
InChIKeyNHKGPOMUILRMLW-UHFFFAOYSA-N
XLogP3.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
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
Methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 856427
[1-(5-Phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 4540225
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-((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

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (CID 724891) is 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is O=C(O)CSc1ncnc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is NHKGPOMUILRMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c17-11(18)7-20-14-12-10(9-4-2-1-3-5-9)6-19-13(12)15-8-16-14/h1-6,8H,7H2,(H,17,18).
What are the key properties of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 302.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 724891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).