2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid

C7H10N2O2S — CID 61266713

IUPAC2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
SMILESCC(C)(Nc1nccs1)C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-7(2,5(10)11)9-6-8-3-4-12-6/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyMTLNYHUVUZDIAI-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.42
Rot. Bonds3

About 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid

2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid (PubChem CID 61266713) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
PubChem CID61266713
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
SMILESCC(C)(Nc1nccs1)C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-7(2,5(10)11)9-6-8-3-4-12-6/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChIKeyMTLNYHUVUZDIAI-UHFFFAOYSA-N
XLogP1.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-(1,3-thiazol-2-ylamino)butanoic acid
CID 64699814
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
CID 106278316
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
2-phenyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 62489746
2-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic acid
CID 61265918
2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
CID 107866128
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid (CID 61266713) is 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid is CC(C)(Nc1nccs1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid?
The InChIKey is MTLNYHUVUZDIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-7(2,5(10)11)9-6-8-3-4-12-6/h3-4H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid?
2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid is sourced from PubChem (CID 61266713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).