(2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide

C12H18N2O2S — CID 857965

IUPAC(2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)[C@H]2CCCO2)n1
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)9-7-17-11(13-9)14-10(15)8-5-4-6-16-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)/t8-/m1/s1
InChIKeyIUVBXWLTPFLBIX-MRVPVSSYSA-N
MW254.35 g/mol
LogP2.56
Rot. Bonds2

About (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide

(2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide (PubChem CID 857965) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
PubChem CID857965
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)[C@H]2CCCO2)n1
InChIInChI=1S/C12H18N2O2S/c1-12(2,3)9-7-17-11(13-9)14-10(15)8-5-4-6-16-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)/t8-/m1/s1
InChIKeyIUVBXWLTPFLBIX-MRVPVSSYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide (CID 857965) is (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide is CC(C)(C)c1csc(NC(=O)[C@H]2CCCO2)n1.
What is the InChIKey of (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is IUVBXWLTPFLBIX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(2,3)9-7-17-11(13-9)14-10(15)8-5-4-6-16-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
(2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 857965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).