(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine

C11H18N2OS — CID 94782519

IUPAC(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
SMILESCC(C)(C)c1csc([C@@H]2CNCCO2)n1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)9-7-15-10(13-9)8-6-12-4-5-14-8/h7-8,12H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyDZECWAJGOYTBDU-QMMMGPOBSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds1

About (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine

(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine (PubChem CID 94782519) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
PubChem CID94782519
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
SMILESCC(C)(C)c1csc([C@@H]2CNCCO2)n1
InChIInChI=1S/C11H18N2OS/c1-11(2,3)9-7-15-10(13-9)8-6-12-4-5-14-8/h7-8,12H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyDZECWAJGOYTBDU-QMMMGPOBSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine (CID 94782519) is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine is CC(C)(C)c1csc([C@@H]2CNCCO2)n1.
What is the InChIKey of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is DZECWAJGOYTBDU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)9-7-15-10(13-9)8-6-12-4-5-14-8/h7-8,12H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine?
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 226.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 94782519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).