4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid

C9H9N5O3S2 — CID 63628668

IUPAC4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)Nc2nncs2)sc1C(=O)O
InChIInChI=1S/C9H9N5O3S2/c1-4-6(7(15)16)19-5(12-4)2-10-8(17)13-9-14-11-3-18-9/h3H,2H2,1H3,(H,15,16)(H2,10,13,14,17)
InChIKeyQCZOESLRXWUODX-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.32
Rot. Bonds4

About 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63628668) has the molecular formula C9H9N5O3S2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63628668
Molecular FormulaC9H9N5O3S2
Molecular Weight299.34 g/mol
Exact Mass299.01
IUPAC Name4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)Nc2nncs2)sc1C(=O)O
InChIInChI=1S/C9H9N5O3S2/c1-4-6(7(15)16)19-5(12-4)2-10-8(17)13-9-14-11-3-18-9/h3H,2H2,1H3,(H,15,16)(H2,10,13,14,17)
InChIKeyQCZOESLRXWUODX-UHFFFAOYSA-N
XLogP1.32
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
4-methyl-2-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63629709
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-[(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
4-methyl-2-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628855
4-methyl-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 106402786
2-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628853
4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114030962
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
2-[[(3-amino-3-methylbutanoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64677668

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid (CID 63628668) is 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)Nc2nncs2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is QCZOESLRXWUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S2/c1-4-6(7(15)16)19-5(12-4)2-10-8(17)13-9-14-11-3-18-9/h3H,2H2,1H3,(H,15,16)(H2,10,13,14,17).
What are the key properties of 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 299.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63628668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).