(2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C14H22N2O2S — CID 47398558

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnc(C(C)(C)C)s2)CC(C)O1
InChIInChI=1S/C14H22N2O2S/c1-9-7-16(8-10(2)18-9)12(17)11-6-15-13(19-11)14(3,4)5/h6,9-10H,7-8H2,1-5H3
InChIKeyNPQSXERZEUDNHG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.69
Rot. Bonds1

About (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 47398558) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID47398558
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnc(C(C)(C)C)s2)CC(C)O1
InChIInChI=1S/C14H22N2O2S/c1-9-7-16(8-10(2)18-9)12(17)11-6-15-13(19-11)14(3,4)5/h6,9-10H,7-8H2,1-5H3
InChIKeyNPQSXERZEUDNHG-UHFFFAOYSA-N
XLogP2.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Tert-butyl-1,3-thiazol-5-yl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 72126678
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 164635178
N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 75386298
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 86843633
N-[(3R)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237830
N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237831
2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120810583
2-(1-ethoxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 132380371
[2,2-Dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]methanone
CID 145889441
N-[2-(4-isobutylmorpholin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 56760390
N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide
CID 71856475

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 47398558) is (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnc(C(C)(C)C)s2)CC(C)O1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is NPQSXERZEUDNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-7-16(8-10(2)18-9)12(17)11-6-15-13(19-11)14(3,4)5/h6,9-10H,7-8H2,1-5H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 282.41 g/mol, XLogP of 2.69, 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)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 47398558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).