4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid

C11H13N5O3S — CID 63628855

IUPAC4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)Nc2ccn(C)n2)sc1C(=O)O
InChIInChI=1S/C11H13N5O3S/c1-6-9(10(17)18)20-8(13-6)5-12-11(19)14-7-3-4-16(2)15-7/h3-4H,5H2,1-2H3,(H,17,18)(H2,12,14,15,19)
InChIKeyVMCFZZSEGDSVBF-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.20
Rot. Bonds4

About 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63628855) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63628855
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)Nc2ccn(C)n2)sc1C(=O)O
InChIInChI=1S/C11H13N5O3S/c1-6-9(10(17)18)20-8(13-6)5-12-11(19)14-7-3-4-16(2)15-7/h3-4H,5H2,1-2H3,(H,17,18)(H2,12,14,15,19)
InChIKeyVMCFZZSEGDSVBF-UHFFFAOYSA-N
XLogP1.20
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570340
2-[[(4-bromophenyl)carbamoylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629193
4-methyl-2-[[(2-methylphenyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630189
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63628668
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
2-[(dimethylaminocarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83019638
4-methyl-2-[[(5-methyl-3-pyridinyl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 107586150
2-[2-[(1-methylpyrazol-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374301
4-methyl-2-[[(2-pyrazol-1-ylacetyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629001
2-[(3-imidazol-1-ylpropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628813
2-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid (CID 63628855) is 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)Nc2ccn(C)n2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VMCFZZSEGDSVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-6-9(10(17)18)20-8(13-6)5-12-11(19)14-7-3-4-16(2)15-7/h3-4H,5H2,1-2H3,(H,17,18)(H2,12,14,15,19).
What are the key properties of 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63628855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).