ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

C10H13NO2S — CID 60709158

IUPACethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2sccc2C1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)11-5-3-9-8(7-11)4-6-14-9/h4,6H,2-3,5,7H2,1H3
InChIKeySWXNNMOPGDYLFC-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.26
Rot. Bonds1

About ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 60709158) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID60709158
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2sccc2C1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)11-5-3-9-8(7-11)4-6-14-9/h4,6H,2-3,5,7H2,1H3
InChIKeySWXNNMOPGDYLFC-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
tert-butyl 2-bromo-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 19365864
tert-butyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 75487172
4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl chloride
CID 79887429
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713
(1-methylpiperidin-4-yl)methyl N-[(3-methylthiophen-2-yl)methyl]carbamate
CID 172437935
2-chloro-1-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
CID 16227666
5-Acetyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 21472069
5-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 45117639

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 60709158) is ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2sccc2C1.
What is the InChIKey of ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is SWXNNMOPGDYLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-13-10(12)11-5-3-9-8(7-11)4-6-14-9/h4,6H,2-3,5,7H2,1H3.
What are the key properties of ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 60709158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).