methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate

C14H21NO2S — CID 116887033

IUPACmethyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2sc(C(C)(C)C)nc2C)CCC1
InChIInChI=1S/C14H21NO2S/c1-9-10(18-11(15-9)13(2,3)4)14(7-6-8-14)12(16)17-5/h6-8H2,1-5H3
InChIKeyLFFWURCROPENQD-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.34
Rot. Bonds2

About methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate

methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate (PubChem CID 116887033) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate
PubChem CID116887033
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Namemethyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(c2sc(C(C)(C)C)nc2C)CCC1
InChIInChI=1S/C14H21NO2S/c1-9-10(18-11(15-9)13(2,3)4)14(7-6-8-14)12(16)17-5/h6-8H2,1-5H3
InChIKeyLFFWURCROPENQD-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate (CID 116887033) is methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate is COC(=O)C1(c2sc(C(C)(C)C)nc2C)CCC1.
What is the InChIKey of methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate?
The InChIKey is LFFWURCROPENQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-10(18-11(15-9)13(2,3)4)14(7-6-8-14)12(16)17-5/h6-8H2,1-5H3.
What are the key properties of methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate?
methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate has a molecular weight of 267.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 116887033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).