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

C11H16N2O3S — CID 47426301

IUPACmethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
SMILESCCc1ncc(C(=O)NC(C)(C)C(=O)OC)s1
InChIInChI=1S/C11H16N2O3S/c1-5-8-12-6-7(17-8)9(14)13-11(2,3)10(15)16-4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyXVWFQTYYVSTZCL-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.39
Rot. Bonds4

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

methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate (PubChem CID 47426301) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
PubChem CID47426301
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
SMILESCCc1ncc(C(=O)NC(C)(C)C(=O)OC)s1
InChIInChI=1S/C11H16N2O3S/c1-5-8-12-6-7(17-8)9(14)13-11(2,3)10(15)16-4/h6H,5H2,1-4H3,(H,13,14)
InChIKeyXVWFQTYYVSTZCL-UHFFFAOYSA-N
XLogP1.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate (CID 47426301) is methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate is CCc1ncc(C(=O)NC(C)(C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The InChIKey is XVWFQTYYVSTZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-5-8-12-6-7(17-8)9(14)13-11(2,3)10(15)16-4/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate has a molecular weight of 256.33 g/mol, XLogP of 1.39, 4 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-methylpropanoate is sourced from PubChem (CID 47426301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).