2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C12H10N4O2S — CID 66373557

IUPAC2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1cccc(C#N)n1)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H10N4O2S/c1-7(11-16-9(6-19-11)12(17)18)14-10-4-2-3-8(5-13)15-10/h2-4,6-7H,1H3,(H,14,15)(H,17,18)
InChIKeyWUSQMAIZFPRESG-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.28
Rot. Bonds4

About 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66373557) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66373557
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1cccc(C#N)n1)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H10N4O2S/c1-7(11-16-9(6-19-11)12(17)18)14-10-4-2-3-8(5-13)15-10/h2-4,6-7H,1H3,(H,14,15)(H,17,18)
InChIKeyWUSQMAIZFPRESG-UHFFFAOYSA-N
XLogP2.28
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-cyanoanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374137
2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375481
2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372975
2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114474543
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 77135788
2-[1-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374696
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
methyl 2-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoate
CID 64588746
2-[1-(cinnolin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375282
2-[1-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380008
2-[1-[[4-(aminomethyl)benzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379052

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66373557) is 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(Nc1cccc(C#N)n1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WUSQMAIZFPRESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-7(11-16-9(6-19-11)12(17)18)14-10-4-2-3-8(5-13)15-10/h2-4,6-7H,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 274.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66373557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).