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

C12H8N2O2S3 — CID 102686163

IUPAC4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
SMILESCc1csc2c(Sc3csc(C(=O)O)c3)ncnc12
InChIInChI=1S/C12H8N2O2S3/c1-6-3-18-10-9(6)13-5-14-11(10)19-7-2-8(12(15)16)17-4-7/h2-5H,1H3,(H,15,16)
InChIKeyUCXANERMXZTRKR-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.91
Rot. Bonds3

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

4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid (PubChem CID 102686163) has the molecular formula C12H8N2O2S3 and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
PubChem CID102686163
Molecular FormulaC12H8N2O2S3
Molecular Weight308.41 g/mol
Exact Mass307.97
IUPAC Name4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
SMILESCc1csc2c(Sc3csc(C(=O)O)c3)ncnc12
InChIInChI=1S/C12H8N2O2S3/c1-6-3-18-10-9(6)13-5-14-11(10)19-7-2-8(12(15)16)17-4-7/h2-5H,1H3,(H,15,16)
InChIKeyUCXANERMXZTRKR-UHFFFAOYSA-N
XLogP3.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
CID 102686148
[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol
CID 102686786
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
CID 102686145
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
4-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]thiophene-2-carboxylic acid
CID 79139886
4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
CID 79140164
4-[(5-methyl-3-nitro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid
CID 79140344
4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid
CID 79728634
4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid
CID 79140538
4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]thiophene-2-carboxylic acid
CID 79139184
2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide
CID 3828425

Frequently Asked Questions

What is the IUPAC name of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid (CID 102686163) is 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid is Cc1csc2c(Sc3csc(C(=O)O)c3)ncnc12.
What is the InChIKey of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
The InChIKey is UCXANERMXZTRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S3/c1-6-3-18-10-9(6)13-5-14-11(10)19-7-2-8(12(15)16)17-4-7/h2-5H,1H3,(H,15,16).
What are the key properties of 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid?
4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid has a molecular weight of 308.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 102686163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).