methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate

C13H20N2O3S — CID 47426221

IUPACmethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cnc(CC)s1)C(=O)OC
InChIInChI=1S/C13H20N2O3S/c1-5-7-13(3,12(17)18-4)15-11(16)9-8-14-10(6-2)19-9/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyLTJDKHDIUQRQGI-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.17
Rot. Bonds6

About methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate

methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate (PubChem CID 47426221) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate
PubChem CID47426221
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cnc(CC)s1)C(=O)OC
InChIInChI=1S/C13H20N2O3S/c1-5-7-13(3,12(17)18-4)15-11(16)9-8-14-10(6-2)19-9/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyLTJDKHDIUQRQGI-UHFFFAOYSA-N
XLogP2.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47398728
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47426301
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 49365409
2-methyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 53537720
Methyl 1-[(2-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 53604417
2-ethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 48574988
Ethyl 2-[(2-methoxy-1,3-thiazole-5-carbonyl)amino]butanoate
CID 141436154
Ethyl 2-amino-4-[5-[(2-methoxy-2-oxoethyl)carbamoyl]-1,3-thiazol-2-yl]butanoate
CID 10404305
Methyl 2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoate
CID 43623929
Methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47402996
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate
CID 47426191

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate (CID 47426221) is methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1cnc(CC)s1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate?
The InChIKey is LTJDKHDIUQRQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-7-13(3,12(17)18-4)15-11(16)9-8-14-10(6-2)19-9/h8H,5-7H2,1-4H3,(H,15,16).
What are the key properties of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate?
methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate has a molecular weight of 284.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpentanoate is sourced from PubChem (CID 47426221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).