2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C12H14N4O2S — CID 114474543

IUPAC2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ncc(NC(C)c2nc(C(=O)O)cs2)nc1C
InChIInChI=1S/C12H14N4O2S/c1-6-7(2)14-10(4-13-6)15-8(3)11-16-9(5-19-11)12(17)18/h4-5,8H,1-3H3,(H,14,15)(H,17,18)
InChIKeyUZNBFYUYWJUZAC-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.42
Rot. Bonds4

About 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 114474543) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID114474543
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ncc(NC(C)c2nc(C(=O)O)cs2)nc1C
InChIInChI=1S/C12H14N4O2S/c1-6-7(2)14-10(4-13-6)15-8(3)11-16-9(5-19-11)12(17)18/h4-5,8H,1-3H3,(H,14,15)(H,17,18)
InChIKeyUZNBFYUYWJUZAC-UHFFFAOYSA-N
XLogP2.42
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375481
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372975
2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373557
2-[1-[(5-nitropyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372600
2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
CID 45103110
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114958949
3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid
CID 114474267
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375286
2-[1-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374696
methyl 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 114059816

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 114474543) is 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is Cc1ncc(NC(C)c2nc(C(=O)O)cs2)nc1C.
What is the InChIKey of 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UZNBFYUYWJUZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-6-7(2)14-10(4-13-6)15-8(3)11-16-9(5-19-11)12(17)18/h4-5,8H,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 278.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114474543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).