2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid

C8H11N3O3S — CID 62625896

IUPAC2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1nccs1
InChIInChI=1S/C8H11N3O3S/c1-5(6(12)13)11(2)8(14)10-7-9-3-4-15-7/h3-5H,1-2H3,(H,12,13)(H,9,10,14)
InChIKeyFKPGBWQAFZFCEZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.08
Rot. Bonds3

About 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid

2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid (PubChem CID 62625896) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
PubChem CID62625896
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1nccs1
InChIInChI=1S/C8H11N3O3S/c1-5(6(12)13)11(2)8(14)10-7-9-3-4-15-7/h3-5H,1-2H3,(H,12,13)(H,9,10,14)
InChIKeyFKPGBWQAFZFCEZ-UHFFFAOYSA-N
XLogP1.08
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
1-methyl-1-nitroso-3-(1,3-thiazol-2-yl)urea;dihydrochloride
CID 174438670
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
CID 131176329
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 86827257
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid (CID 62625896) is 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid is CC(C(=O)O)N(C)C(=O)Nc1nccs1.
What is the InChIKey of 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid?
The InChIKey is FKPGBWQAFZFCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-5(6(12)13)11(2)8(14)10-7-9-3-4-15-7/h3-5H,1-2H3,(H,12,13)(H,9,10,14).
What are the key properties of 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid?
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid has a molecular weight of 229.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62625896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).