ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride

C10H14ClNO2S — CID 66523915

IUPACethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2c(s1)CCNC2.Cl
InChIInChI=1S/C10H13NO2S.ClH/c1-2-13-10(12)9-5-7-6-11-4-3-8(7)14-9;/h5,11H,2-4,6H2,1H3;1H
InChIKeySHBGAJBEGRRERX-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.99
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride

ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride (PubChem CID 66523915) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride
PubChem CID66523915
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Nameethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2c(s1)CCNC2.Cl
InChIInChI=1S/C10H13NO2S.ClH/c1-2-13-10(12)9-5-7-6-11-4-3-8(7)14-9;/h5,11H,2-4,6H2,1H3;1H
InChIKeySHBGAJBEGRRERX-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepine-2-carboxylate
CID 131270641
ethyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 42582900
methyl 5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxylate
CID 55252787
2-ethoxyethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 78790264
4-(2-ethoxycarbonyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoic acid
CID 155162537
ethyl 5-(4-hydroxybutanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
CID 145400573
methane;2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 161271104
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
ethyl 3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylate
CID 67523689
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
ethyl 4-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyloxy)acetyl]piperazine-1-carboxylate
CID 23860013
ethyl 6-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 165469922

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride (CID 66523915) is ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride is CCOC(=O)c1cc2c(s1)CCNC2.Cl.
What is the InChIKey of ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride?
The InChIKey is SHBGAJBEGRRERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S.ClH/c1-2-13-10(12)9-5-7-6-11-4-3-8(7)14-9;/h5,11H,2-4,6H2,1H3;1H.
What are the key properties of ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride?
ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 66523915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).