butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate

C16H15NO3S2 — CID 67233627

IUPACbutyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate
SMILESCCCCOC(=O)c1nc(-c2cccs2)c2ccsc2c1O
InChIInChI=1S/C16H15NO3S2/c1-2-3-7-20-16(19)13-14(18)15-10(6-9-22-15)12(17-13)11-5-4-8-21-11/h4-6,8-9,18H,2-3,7H2,1H3
InChIKeyDTBWSBMLXYNREI-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.69
Rot. Bonds5

About butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate

butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate (PubChem CID 67233627) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namebutyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate
PubChem CID67233627
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Namebutyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate
SMILESCCCCOC(=O)c1nc(-c2cccs2)c2ccsc2c1O
InChIInChI=1S/C16H15NO3S2/c1-2-3-7-20-16(19)13-14(18)15-10(6-9-22-15)12(17-13)11-5-4-8-21-11/h4-6,8-9,18H,2-3,7H2,1H3
InChIKeyDTBWSBMLXYNREI-UHFFFAOYSA-N
XLogP4.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

butyl 4-chloro-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
CID 87318571
butyl 4-hydroxy-7-methylthieno[2,3-c]pyridine-5-carboxylate
CID 67233759
butyl 2-thiophen-2-ylthieno[2,3-c]pyridine-5-carboxylate
CID 71251659
butyl 4-hydroxy-2,7-dimethylthieno[2,3-c]pyridine-5-carboxylate
CID 67234395
heptyl thiophene-2-carboxylate
CID 574115
butyl 1-bromo-7-butoxy-4-hydroxyisoquinoline-3-carboxylate
CID 86014546
butyl 7-hydroxy-2-(4-phenoxyphenyl)thieno[3,2-c]pyridine-6-carboxylate
CID 67233909
butyl 1-chloro-4-hydroxy-5-phenylisoquinoline-3-carboxylate
CID 86014617
butyl 7-bromo-1-chloro-4-hydroxyisoquinoline-3-carboxylate
CID 86014573
butyl 1-bromo-7-chloro-4-hydroxyisoquinoline-3-carboxylate
CID 86014560
4-(furan-3-yl)-7-hydroxythieno[3,2-c]pyridine-6-carboxamide
CID 141186453
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398

Frequently Asked Questions

What is the IUPAC name of butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate (CID 67233627) is butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate is CCCCOC(=O)c1nc(-c2cccs2)c2ccsc2c1O.
What is the InChIKey of butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is DTBWSBMLXYNREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c1-2-3-7-20-16(19)13-14(18)15-10(6-9-22-15)12(17-13)11-5-4-8-21-11/h4-6,8-9,18H,2-3,7H2,1H3.
What are the key properties of butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate?
butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 7-hydroxy-4-thiophen-2-ylthieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 67233627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).