2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid

C11H18N2O2S — CID 79789614

IUPAC2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid
SMILESCCc1nc(CNC(C)(CC)C(=O)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-4-9-13-8(7-16-9)6-12-11(3,5-2)10(14)15/h7,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyUXWWJKYWARNMQI-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.05
Rot. Bonds6

About 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid

2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid (PubChem CID 79789614) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid
PubChem CID79789614
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid
SMILESCCc1nc(CNC(C)(CC)C(=O)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-4-9-13-8(7-16-9)6-12-11(3,5-2)10(14)15/h7,12H,4-6H2,1-3H3,(H,14,15)
InChIKeyUXWWJKYWARNMQI-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265310
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
CID 115866596
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115592141
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 79798385
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methylbutanoic acid
CID 79801800
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 131926202
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 119606699
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
CID 119882244
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
CID 102609934
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid
CID 43619497

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid (CID 79789614) is 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid is CCc1nc(CNC(C)(CC)C(=O)O)cs1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid?
The InChIKey is UXWWJKYWARNMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-9-13-8(7-16-9)6-12-11(3,5-2)10(14)15/h7,12H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid?
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79789614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).