4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid

C11H12N4O3S — CID 63629001

IUPAC4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)Cn2cccn2)sc1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-7-10(11(17)18)19-9(14-7)5-12-8(16)6-15-4-2-3-13-15/h2-4H,5-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyXWENDNPFVKSFIR-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.66
Rot. Bonds5

About 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63629001) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63629001
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)Cn2cccn2)sc1C(=O)O
InChIInChI=1S/C11H12N4O3S/c1-7-10(11(17)18)19-9(14-7)5-12-8(16)6-15-4-2-3-13-15/h2-4H,5-6H2,1H3,(H,12,16)(H,17,18)
InChIKeyXWENDNPFVKSFIR-UHFFFAOYSA-N
XLogP0.66
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-aminopropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63627979
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
2-[(3-imidazol-1-ylpropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628813
2-[[(2-butylsulfanylacetyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55248025
2-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64677668
2-[(3-ethoxypropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55248602
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
2-[[(1-cyclopropylpyrrole-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63630008
4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628327
2-[[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63630038
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629822

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (CID 63629001) is 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)Cn2cccn2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is XWENDNPFVKSFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7-10(11(17)18)19-9(14-7)5-12-8(16)6-15-4-2-3-13-15/h2-4H,5-6H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63629001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).