Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-amino-, ethyl ester,

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Basic information

CAS: 24237-44-3
Standard SMILES: CCOC(=O)c1c(N)sc2c1CCNC2
InChIKey: PVISNLMZGPDDEI-UHFFFAOYSA-N
Molecular formula: C10H14N2O2S
Average molar mass: 226.3 g/mol
Monoisotopic mass: 226.07759869

Names & identifiers

Preferred name: Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-amino-, ethyl ester,
IUPAC: ethyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
English name: 2-Amino-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
Molecular formula: C10H14N2O2S
Molecular weight: 226.3

Names & synonyms

24237-44-3Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-amino-, ethyl ester,RefChem:1099956ethyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylateethyl 2-amino-4h,5h,6h,7h-thieno[2,3-c]pyridine-3-carboxylateNor-Y 3642CHEMBL595965BRN 1075541Ethyl 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochlorideEthyl 4,5,6,7-tetrahydro-2-aminothieno(2,3-c)pyridine-3-carboxylateOprea1_753083SCHEMBL6991999

Show more names

UKRORGSYN-BB BBV-50944152-Amino-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid ethyl esterThieno[2,3-c]pyridine-3-carboxylic acid, 2-aMino-4,5,6,7-tetrahydro-, ethyl ester

CHEMBL1198107DTXSID30178928PVISNLMZGPDDEI-UHFFFAOYSA-NSTR10572ZAA23744BDBM50304467EBC-46096MFCD01680496

Database identifiers

CAS: 24237-44-3
PubChem CID: 212359
DTXSID: DTXSID30178928
ChEMBL: CHEMBL1198107、CHEMBL595965
Nikkaji: J3.432.946J

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 92.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 250

Related reactions

3 records

New reaction record

HRID 325071As reactantuspto-grants-2001_04

HRID 325072As reactantuspto-grants-2001_04

HRID 1935458As reactantuspto-grants-2002_05

Compound notes

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