methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate

C13H20N2O3S — CID 63047684

IUPACmethyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)c1cscn1
InChIInChI=1S/C13H20N2O3S/c1-4-10(5-2)6-15(7-12(16)18-3)13(17)11-8-19-9-14-11/h8-10H,4-7H2,1-3H3
InChIKeyKDDUYDAWBJIRBA-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.19
Rot. Bonds7

About methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate

methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate (PubChem CID 63047684) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate
PubChem CID63047684
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)c1cscn1
InChIInChI=1S/C13H20N2O3S/c1-4-10(5-2)6-15(7-12(16)18-3)13(17)11-8-19-9-14-11/h8-10H,4-7H2,1-3H3
InChIKeyKDDUYDAWBJIRBA-UHFFFAOYSA-N
XLogP2.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 62232755
methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 78959009
methyl 2-[(5-bromo-4-methylthiophene-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 79987712
N-methyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 63038266
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
3-[2-methylpropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119190716
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 76982221
N-(2-bromoethyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 80660747
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate
CID 62012526
methyl (2S)-2-[cyclobutyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 99830564

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate (CID 63047684) is methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate is CCC(CC)CN(CC(=O)OC)C(=O)c1cscn1.
What is the InChIKey of methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate?
The InChIKey is KDDUYDAWBJIRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-10(5-2)6-15(7-12(16)18-3)13(17)11-8-19-9-14-11/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate?
methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate has a molecular weight of 284.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethylbutyl(1,3-thiazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 63047684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).