4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid

C11H14N6O3S — CID 64517909

IUPAC4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)N(C)Cc2ncn[nH]2)sc1C(=O)O
InChIInChI=1S/C11H14N6O3S/c1-6-9(10(18)19)21-8(15-6)3-12-11(20)17(2)4-7-13-5-14-16-7/h5H,3-4H2,1-2H3,(H,12,20)(H,18,19)(H,13,14,16)
InChIKeyIKGRWEFMEDWVJG-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.61
Rot. Bonds5

About 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 64517909) has the molecular formula C11H14N6O3S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID64517909
Molecular FormulaC11H14N6O3S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC Name4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)N(C)Cc2ncn[nH]2)sc1C(=O)O
InChIInChI=1S/C11H14N6O3S/c1-6-9(10(18)19)21-8(15-6)3-12-11(20)17(2)4-7-13-5-14-16-7/h5H,3-4H2,1-2H3,(H,12,20)(H,18,19)(H,13,14,16)
InChIKeyIKGRWEFMEDWVJG-UHFFFAOYSA-N
XLogP0.61
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

4-methyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629028
4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628327
2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
CID 64519833
2-[[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63630038
2-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628686
2-[[[3-methoxypropyl(methyl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629038
2,2-dimethyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]propanoic acid
CID 113308290
2-[(dimethylaminocarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83019638
4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630361
2-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628853
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid (CID 64517909) is 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)N(C)Cc2ncn[nH]2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is IKGRWEFMEDWVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3S/c1-6-9(10(18)19)21-8(15-6)3-12-11(20)17(2)4-7-13-5-14-16-7/h5H,3-4H2,1-2H3,(H,12,20)(H,18,19)(H,13,14,16).
What are the key properties of 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 64517909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).