2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid

C12H13N3O2S2 — CID 113423014

IUPAC2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H13N3O2S2/c13-10(11(16)17)8-6-19-12(14-8)15-3-1-9-7(5-15)2-4-18-9/h2,4,6,10H,1,3,5,13H2,(H,16,17)
InChIKeyQAZLUVKZVYHMLO-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 113423014) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID113423014
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(N2CCc3sccc3C2)n1
InChIInChI=1S/C12H13N3O2S2/c13-10(11(16)17)8-6-19-12(14-8)15-3-1-9-7(5-15)2-4-18-9/h2,4,6,10H,1,3,5,13H2,(H,16,17)
InChIKeyQAZLUVKZVYHMLO-UHFFFAOYSA-N
XLogP1.85
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527843
2-amino-2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetic acid
CID 113423096
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 28604312
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]ethanone
CID 62757260
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
5-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71925337
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753320
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
2-amino-2-[2-(2-propan-2-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527993
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62702331
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117477
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976301

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid (CID 113423014) is 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(N2CCc3sccc3C2)n1.
What is the InChIKey of 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QAZLUVKZVYHMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c13-10(11(16)17)8-6-19-12(14-8)15-3-1-9-7(5-15)2-4-18-9/h2,4,6,10H,1,3,5,13H2,(H,16,17).
What are the key properties of 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 295.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 113423014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).