4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid

C14H11N3O2S2 — CID 79561759

IUPAC4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
SMILESCCc1cc2c(Sc3ccnc(C(=O)O)c3)ncnc2s1
InChIInChI=1S/C14H11N3O2S2/c1-2-8-5-10-12(20-8)16-7-17-13(10)21-9-3-4-15-11(6-9)14(18)19/h3-7H,2H2,1H3,(H,18,19)
InChIKeyZGEQLFPVDYUGKZ-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.50
Rot. Bonds4

About 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid

4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid (PubChem CID 79561759) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
PubChem CID79561759
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
SMILESCCc1cc2c(Sc3ccnc(C(=O)O)c3)ncnc2s1
InChIInChI=1S/C14H11N3O2S2/c1-2-8-5-10-12(20-8)16-7-17-13(10)21-9-3-4-15-11(6-9)14(18)19/h3-7H,2H2,1H3,(H,18,19)
InChIKeyZGEQLFPVDYUGKZ-UHFFFAOYSA-N
XLogP3.50
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 696855
4-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 105366580
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione
CID 4826571
3-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylpropan-1-one
CID 39162008
N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9265700
1-(4-benzylpiperidin-1-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 2417436
4-butan-2-ylsulfanylpyridine-2-carboxylic acid
CID 43143115
4-[(4-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine
CID 962610
4-(6-methylpyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid
CID 79554237
N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 8521680
(2R)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 41113444

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid (CID 79561759) is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid is CCc1cc2c(Sc3ccnc(C(=O)O)c3)ncnc2s1.
What is the InChIKey of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is ZGEQLFPVDYUGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-2-8-5-10-12(20-8)16-7-17-13(10)21-9-3-4-15-11(6-9)14(18)19/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid?
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 317.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 79561759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).