methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate

C14H11NO3S2 — CID 10804523

IUPACmethyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Sc3ccoc3C)cncc2s1
InChIInChI=1S/C14H11NO3S2/c1-8-10(3-4-18-8)19-12-6-15-7-13-9(12)5-11(20-13)14(16)17-2/h3-7H,1-2H3
InChIKeyFTTCTYLEDZRUIR-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.14
Rot. Bonds3

About methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate

methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate (PubChem CID 10804523) has the molecular formula C14H11NO3S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate
PubChem CID10804523
Molecular FormulaC14H11NO3S2
Molecular Weight305.38 g/mol
Exact Mass305.02
IUPAC Namemethyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Sc3ccoc3C)cncc2s1
InChIInChI=1S/C14H11NO3S2/c1-8-10(3-4-18-8)19-12-6-15-7-13-9(12)5-11(20-13)14(16)17-2/h3-7H,1-2H3
InChIKeyFTTCTYLEDZRUIR-UHFFFAOYSA-N
XLogP4.14
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate (CID 10804523) is methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(Sc3ccoc3C)cncc2s1.
What is the InChIKey of methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is FTTCTYLEDZRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S2/c1-8-10(3-4-18-8)19-12-6-15-7-13-9(12)5-11(20-13)14(16)17-2/h3-7H,1-2H3.
What are the key properties of methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate?
methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylfuran-3-yl)sulfanylthieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 10804523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).