tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate

C11H15NO2S — CID 67262257

IUPACtert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(c2nccs2)CC1
InChIInChI=1S/C11H15NO2S/c1-10(2,3)14-9(13)11(4-5-11)8-12-6-7-15-8/h6-7H,4-5H2,1-3H3
InChIKeyGZOZDROUAXWPTB-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.52
Rot. Bonds2

About tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate

tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 67262257) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate
PubChem CID67262257
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nametert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(c2nccs2)CC1
InChIInChI=1S/C11H15NO2S/c1-10(2,3)14-9(13)11(4-5-11)8-12-6-7-15-8/h6-7H,4-5H2,1-3H3
InChIKeyGZOZDROUAXWPTB-UHFFFAOYSA-N
XLogP2.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate (CID 67262257) is tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1(c2nccs2)CC1.
What is the InChIKey of tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is GZOZDROUAXWPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-10(2,3)14-9(13)11(4-5-11)8-12-6-7-15-8/h6-7H,4-5H2,1-3H3.
What are the key properties of tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate?
tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(1,3-thiazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 67262257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).