ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate

C12H16N2O3S — CID 6465368

IUPACethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(=O)C1CCC1
InChIInChI=1S/C12H16N2O3S/c1-3-17-12(16)9-7(2)14-18-11(9)13-10(15)8-5-4-6-8/h8H,3-6H2,1-2H3,(H,13,15)
InChIKeyINUJUXLKIAZEPJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.37
Rot. Bonds4

About ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 6465368) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID6465368
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Nameethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(=O)C1CCC1
InChIInChI=1S/C12H16N2O3S/c1-3-17-12(16)9-7(2)14-18-11(9)13-10(15)8-5-4-6-8/h8H,3-6H2,1-2H3,(H,13,15)
InChIKeyINUJUXLKIAZEPJ-UHFFFAOYSA-N
XLogP2.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate (CID 6465368) is ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC(=O)C1CCC1.
What is the InChIKey of ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is INUJUXLKIAZEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-17-12(16)9-7(2)14-18-11(9)13-10(15)8-5-4-6-8/h8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 268.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclobutanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 6465368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).