2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid

C11H9N5O2S — CID 113446158

IUPAC2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNc2nccn3nccc23)n1
InChIInChI=1S/C11H9N5O2S/c17-11(18)7-6-19-9(15-7)5-13-10-8-1-2-14-16(8)4-3-12-10/h1-4,6H,5H2,(H,12,13)(H,17,18)
InChIKeyLETGLJUGXVOCPI-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.50
Rot. Bonds4

About 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid

2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 113446158) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID113446158
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNc2nccn3nccc23)n1
InChIInChI=1S/C11H9N5O2S/c17-11(18)7-6-19-9(15-7)5-13-10-8-1-2-14-16(8)4-3-12-10/h1-4,6H,5H2,(H,12,13)(H,17,18)
InChIKeyLETGLJUGXVOCPI-UHFFFAOYSA-N
XLogP1.50
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 167764172
2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379723
2-[[(3-methoxycarbonyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379533
3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]benzoic acid
CID 104729385
2-[[(4-cyanopyridazin-3-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 80508268
2-[[(2-methylpyrimidin-4-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379144
2-[[(5-methylpyrimidin-2-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378949
N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730521
2-[[(2-methylpyrazole-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379887
2-[[(3-carbamoyl-6-methyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381269
N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730459
N-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730493

Frequently Asked Questions

What is the IUPAC name of 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 113446158) is 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNc2nccn3nccc23)n1.
What is the InChIKey of 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LETGLJUGXVOCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c17-11(18)7-6-19-9(15-7)5-13-10-8-1-2-14-16(8)4-3-12-10/h1-4,6H,5H2,(H,12,13)(H,17,18).
What are the key properties of 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113446158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).