2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid

C14H10N2O2S2 — CID 102686148

IUPAC2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
SMILESCc1csc2c(Sc3ccccc3C(=O)O)ncnc12
InChIInChI=1S/C14H10N2O2S2/c1-8-6-19-12-11(8)15-7-16-13(12)20-10-5-3-2-4-9(10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyFSIFVNHAXDAJTF-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.85
Rot. Bonds3

About 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid

2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid (PubChem CID 102686148) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid.

Molecular Properties

Compound Name2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
PubChem CID102686148
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
SMILESCc1csc2c(Sc3ccccc3C(=O)O)ncnc12
InChIInChI=1S/C14H10N2O2S2/c1-8-6-19-12-11(8)15-7-16-13(12)20-10-5-3-2-4-9(10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyFSIFVNHAXDAJTF-UHFFFAOYSA-N
XLogP3.85
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide
CID 3828425
4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
CID 102686163
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid
CID 102686173
2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
CID 102686157
2-methyl-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxybenzoic acid
CID 102687093
3-methylthieno[3,2-b]pyridine-7-carboxylic acid
CID 131109716
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylsulfanyl)benzoic acid
CID 62833147
[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol
CID 102686786
2-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]benzoic acid
CID 79713427
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442
3-methylsulfanyl-1-benzothiophene-7-carboxylic acid
CID 18784106
4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine
CID 3824853

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid?
The IUPAC name of 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid (CID 102686148) is 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid.
What is the SMILES notation for 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid?
The canonical SMILES for 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid is Cc1csc2c(Sc3ccccc3C(=O)O)ncnc12.
What is the InChIKey of 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid?
The InChIKey is FSIFVNHAXDAJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c1-8-6-19-12-11(8)15-7-16-13(12)20-10-5-3-2-4-9(10)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid?
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid has a molecular weight of 302.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid is sourced from PubChem (CID 102686148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).