5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C13H13N3O3S2 — CID 66377878

IUPAC5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESNCc1nc(C(=O)N2CCc3sccc3C2C(=O)O)cs1
InChIInChI=1S/C13H13N3O3S2/c14-5-10-15-8(6-21-10)12(17)16-3-1-9-7(2-4-20-9)11(16)13(18)19/h2,4,6,11H,1,3,5,14H2,(H,18,19)
InChIKeyHDLGVIRDOPBNKK-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.49
Rot. Bonds3

About 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 66377878) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID66377878
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESNCc1nc(C(=O)N2CCc3sccc3C2C(=O)O)cs1
InChIInChI=1S/C13H13N3O3S2/c14-5-10-15-8(6-21-10)12(17)16-3-1-9-7(2-4-20-9)11(16)13(18)19/h2,4,6,11H,1,3,5,14H2,(H,18,19)
InChIKeyHDLGVIRDOPBNKK-UHFFFAOYSA-N
XLogP1.49
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;hydrochloride
CID 119694088
5-(5-chloropyrazine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 107371494
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 66376704
5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65228403
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119686916
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119742326
5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62339629
(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62788767
2-(2-amino-1,3-thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 62789153
5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 66127754

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 66377878) is 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is NCc1nc(C(=O)N2CCc3sccc3C2C(=O)O)cs1.
What is the InChIKey of 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is HDLGVIRDOPBNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c14-5-10-15-8(6-21-10)12(17)16-3-1-9-7(2-4-20-9)11(16)13(18)19/h2,4,6,11H,1,3,5,14H2,(H,18,19).
What are the key properties of 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 66377878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).