(3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate

C11H14N2O4S — CID 75458467

IUPAC(3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCOC1CC(OC(=O)c2csc(NC(C)=O)n2)C1
InChIInChI=1S/C11H14N2O4S/c1-6(14)12-11-13-9(5-18-11)10(15)17-8-3-7(4-8)16-2/h5,7-8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyOMHXVJUYKKXYDL-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.44
Rot. Bonds4

About (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate

(3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 75458467) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID75458467
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name(3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCOC1CC(OC(=O)c2csc(NC(C)=O)n2)C1
InChIInChI=1S/C11H14N2O4S/c1-6(14)12-11-13-9(5-18-11)10(15)17-8-3-7(4-8)16-2/h5,7-8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyOMHXVJUYKKXYDL-UHFFFAOYSA-N
XLogP1.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate (CID 75458467) is (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate is COC1CC(OC(=O)c2csc(NC(C)=O)n2)C1.
What is the InChIKey of (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is OMHXVJUYKKXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-6(14)12-11-13-9(5-18-11)10(15)17-8-3-7(4-8)16-2/h5,7-8H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate?
(3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 270.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclobutyl) 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75458467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).