5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

C13H20N2O3S — CID 106703175

IUPAC5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCc1cnc(CNC(=O)CC(C)(C)CC(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-9-7-15-11(19-9)8-14-10(16)5-13(2,3)6-12(17)18/h7H,4-6,8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyODNQSUMUCYXBOH-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.21
Rot. Bonds7

About 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 106703175) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID106703175
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCc1cnc(CNC(=O)CC(C)(C)CC(=O)O)s1
InChIInChI=1S/C13H20N2O3S/c1-4-9-7-15-11(19-9)8-14-10(16)5-13(2,3)6-12(17)18/h7H,4-6,8H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyODNQSUMUCYXBOH-UHFFFAOYSA-N
XLogP2.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]-3-methylbutanoic acid
CID 114128736
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 103814857
2-amino-N-[2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]acetamide
CID 104872602
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methoxy-2-methylpropanamide
CID 103709224
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 122004240

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 106703175) is 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is CCc1cnc(CNC(=O)CC(C)(C)CC(=O)O)s1.
What is the InChIKey of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is ODNQSUMUCYXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-9-7-15-11(19-9)8-14-10(16)5-13(2,3)6-12(17)18/h7H,4-6,8H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 106703175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).