3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

C9H12N2O3S — CID 43240530

IUPAC3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(C)c(C(=O)NCCC(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c1-5-8(15-6(2)11-5)9(14)10-4-3-7(12)13/h3-4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyPOGWGRLWJFQUBD-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.96
Rot. Bonds4

About 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid

3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (PubChem CID 43240530) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
PubChem CID43240530
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
SMILESCc1nc(C)c(C(=O)NCCC(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c1-5-8(15-6(2)11-5)9(14)10-4-3-7(12)13/h3-4H2,1-2H3,(H,10,14)(H,12,13)
InChIKeyPOGWGRLWJFQUBD-UHFFFAOYSA-N
XLogP0.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
2-ethyl-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 49506769
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49507163
2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
CID 51075868
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 53501465
4-methyl-N-(2-piperidin-1-ylethyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 53501831
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53505856
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71850127
5-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201372
N-cycloheptyl-2,4-dimethylthiazole-5-carboxamide
CID 9123260
N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53498235
2,4-dimethyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3-thiazole-5-carboxamide
CID 71792568

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid (CID 43240530) is 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is Cc1nc(C)c(C(=O)NCCC(=O)O)s1.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
The InChIKey is POGWGRLWJFQUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5-8(15-6(2)11-5)9(14)10-4-3-7(12)13/h3-4H2,1-2H3,(H,10,14)(H,12,13).
What are the key properties of 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid?
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid has a molecular weight of 228.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43240530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).