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

C10H9N3O3S2 — CID 114030962

IUPAC4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)c2cncs2)sc1C(=O)O
InChIInChI=1S/C10H9N3O3S2/c1-5-8(10(15)16)18-7(13-5)3-12-9(14)6-2-11-4-17-6/h2,4H,3H2,1H3,(H,12,14)(H,15,16)
InChIKeyWACDSCYJGSUVMR-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.54
Rot. Bonds4

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

4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 114030962) has the molecular formula C10H9N3O3S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID114030962
Molecular FormulaC10H9N3O3S2
Molecular Weight283.33 g/mol
Exact Mass283.01
IUPAC Name4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)c2cncs2)sc1C(=O)O
InChIInChI=1S/C10H9N3O3S2/c1-5-8(10(15)16)18-7(13-5)3-12-9(14)6-2-11-4-17-6/h2,4H,3H2,1H3,(H,12,14)(H,15,16)
InChIKeyWACDSCYJGSUVMR-UHFFFAOYSA-N
XLogP1.54
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
2-[[(5-hydroxypyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63851851
2-[[(4-hydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629996
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 103400121
2-[[(2,5-dihydroxybenzoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107721667
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
2-[[(6-chloropyridine-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628992
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629822
2-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 103953886
4-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63628668
2-[[(5-chlorofuran-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628637

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid (CID 114030962) is 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)c2cncs2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is WACDSCYJGSUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S2/c1-5-8(10(15)16)18-7(13-5)3-12-9(14)6-2-11-4-17-6/h2,4H,3H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1,3-thiazole-5-carbonylamino)methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114030962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).