5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid

C15H14N2O3S2 — CID 28896346

IUPAC5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid
SMILESCCc1cc2c(SCc3ccc(C(=O)O)o3)nc(C)nc2s1
InChIInChI=1S/C15H14N2O3S2/c1-3-10-6-11-13(16-8(2)17-14(11)22-10)21-7-9-4-5-12(20-9)15(18)19/h4-6H,3,7H2,1-2H3,(H,18,19)
InChIKeyATTIICFHWORGSW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.15
Rot. Bonds5

About 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid

5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid (PubChem CID 28896346) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid
PubChem CID28896346
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid
SMILESCCc1cc2c(SCc3ccc(C(=O)O)o3)nc(C)nc2s1
InChIInChI=1S/C15H14N2O3S2/c1-3-10-6-11-13(16-8(2)17-14(11)22-10)21-7-9-4-5-12(20-9)15(18)19/h4-6H,3,7H2,1-2H3,(H,18,19)
InChIKeyATTIICFHWORGSW-UHFFFAOYSA-N
XLogP4.15
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid (CID 28896346) is 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid is CCc1cc2c(SCc3ccc(C(=O)O)o3)nc(C)nc2s1.
What is the InChIKey of 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid?
The InChIKey is ATTIICFHWORGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-3-10-6-11-13(16-8(2)17-14(11)22-10)21-7-9-4-5-12(20-9)15(18)19/h4-6H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid?
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 28896346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).