5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid

C8H10N2O3S — CID 117097221

IUPAC5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCC(=O)Nc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C8H10N2O3S/c1-3-5(11)9-8-10-6(7(12)13)4(2)14-8/h3H2,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyPRXJVIJWOWZBDN-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.50
Rot. Bonds3

About 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid

5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 117097221) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID117097221
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCC(=O)Nc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C8H10N2O3S/c1-3-5(11)9-8-10-6(7(12)13)4(2)14-8/h3H2,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyPRXJVIJWOWZBDN-UHFFFAOYSA-N
XLogP1.50
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[[2-oxo-2-(propylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 115423595
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000
2-[(2-ethoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423658
5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid
CID 82068924
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
2-(1-methoxybutan-2-ylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424657
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
5-methyl-2-(1-phenylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 113307049
2-(cyclopentylmethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423521
2-[(4-bromothiophen-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424738

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid (CID 117097221) is 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid is CCC(=O)Nc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PRXJVIJWOWZBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-3-5(11)9-8-10-6(7(12)13)4(2)14-8/h3H2,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid?
5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117097221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).