methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate

C13H20N2O3S — CID 47398728

IUPACmethyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H20N2O3S/c1-12(2,3)10-14-7-8(19-10)9(16)15-13(4,5)11(17)18-6/h7H,1-6H3,(H,15,16)
InChIKeyHNWWIMSNMABZLY-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.12
Rot. Bonds3

About methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate

methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate (PubChem CID 47398728) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
PubChem CID47398728
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H20N2O3S/c1-12(2,3)10-14-7-8(19-10)9(16)15-13(4,5)11(17)18-6/h7H,1-6H3,(H,15,16)
InChIKeyHNWWIMSNMABZLY-UHFFFAOYSA-N
XLogP2.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-ditert-butyl-1,3-thiazole-5-carboxamide
CID 47398500
N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47426301
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47896370
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
YN8L3GA7BP
CID 156596486
2-tert-butyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 56070525
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 86843633
3,3,3-Trifluoro-2-methyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 108041061
3,3,3-Trifluoro-2-methyl-2-(1,3-thiazole-5-carbonylamino)propanoic acid
CID 108041062
3-Fluoro-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 121945167

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate (CID 47398728) is methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The InChIKey is HNWWIMSNMABZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-12(2,3)10-14-7-8(19-10)9(16)15-13(4,5)11(17)18-6/h7H,1-6H3,(H,15,16).
What are the key properties of methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate has a molecular weight of 284.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 47398728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).