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

C12H18N2O2S — CID 857966

IUPAC(2S)-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-/m0/s1
InChIKeyIUVBXWLTPFLBIX-QMMMGPOBSA-N
MW254.35 g/mol
LogP2.56
Rot. Bonds2

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

(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide (PubChem CID 857966) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
PubChem CID857966
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2S)-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-/m0/s1
InChIKeyIUVBXWLTPFLBIX-QMMMGPOBSA-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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Related Compounds

CID 2998736
CID 2998736
CID 71856989
CID 71856989
CID 1086809
CID 1086809
CID 32863501
CID 32863501
CID 91765036
CID 91765036
CID 166627625
CID 166627625
CID 166632772
CID 166632772
CID 78874132
CID 78874132
CID 86981127
CID 86981127
CID 2971008
CID 2971008
CID 857965
CID 857965
CID 3206750
CID 3206750

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide (CID 857966) is (2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-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 (2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is IUVBXWLTPFLBIX-QMMMGPOBSA-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-/m0/s1.
What are the key properties of (2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
(2S)-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 (2S)-N-(4-tert-butyl-1,3-thiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 857966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).