(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

C15H24N2O2S — CID 129367238

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cnc(C(C)(C)C)s2)CC(C)(C)O1
InChIInChI=1S/C15H24N2O2S/c1-10-8-17(9-15(5,6)19-10)12(18)11-7-16-13(20-11)14(2,3)4/h7,10H,8-9H2,1-6H3/t10-/m0/s1
InChIKeyNFGAPDDKRIOENV-JTQLQIEISA-N
MW296.44 g/mol
LogP3.08
Rot. Bonds1

About (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 129367238) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID129367238
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cnc(C(C)(C)C)s2)CC(C)(C)O1
InChIInChI=1S/C15H24N2O2S/c1-10-8-17(9-15(5,6)19-10)12(18)11-7-16-13(20-11)14(2,3)4/h7,10H,8-9H2,1-6H3/t10-/m0/s1
InChIKeyNFGAPDDKRIOENV-JTQLQIEISA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 129367238) is (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cnc(C(C)(C)C)s2)CC(C)(C)O1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is NFGAPDDKRIOENV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-8-17(9-15(5,6)19-10)12(18)11-7-16-13(20-11)14(2,3)4/h7,10H,8-9H2,1-6H3/t10-/m0/s1.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 296.44 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 129367238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).