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

C11H16N2O3S — CID 47402996

IUPACmethyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)10-13-5-7(17-10)9(15)12-6-8(14)16-4/h5H,6H2,1-4H3,(H,12,15)
InChIKeyQKZZIBFBKDDLIO-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.34
Rot. Bonds3

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

methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate (PubChem CID 47402996) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate
PubChem CID47402996
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)10-13-5-7(17-10)9(15)12-6-8(14)16-4/h5H,6H2,1-4H3,(H,12,15)
InChIKeyQKZZIBFBKDDLIO-UHFFFAOYSA-N
XLogP1.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate (CID 47402996) is methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate?
The InChIKey is QKZZIBFBKDDLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(2,3)10-13-5-7(17-10)9(15)12-6-8(14)16-4/h5H,6H2,1-4H3,(H,12,15).
What are the key properties of methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate?
methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]acetate has a molecular weight of 256.33 g/mol, XLogP of 1.34, 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]acetate is sourced from PubChem (CID 47402996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).