4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

C12H17F3N2OS — CID 58486394

IUPAC4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
SMILESCC(C)(C)c1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2OS/c1-11(2,3)9-8(12(13,14)15)16-10(19-9)17-4-6-18-7-5-17/h4-7H2,1-3H3
InChIKeyKQTFJDAGMLBPGI-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.30
Rot. Bonds1

About 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 58486394) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
PubChem CID58486394
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
SMILESCC(C)(C)c1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2OS/c1-11(2,3)9-8(12(13,14)15)16-10(19-9)17-4-6-18-7-5-17/h4-7H2,1-3H3
InChIKeyKQTFJDAGMLBPGI-UHFFFAOYSA-N
XLogP3.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)morpholine
CID 122153083
5-Tert-butyl-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 58486393
5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143994940
4-[5-Propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 169163058
5-propan-2-yl-N,N-dipropyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 170133924
4-[5-Methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 170133929
(R)-2-[4-Methyl-2-[2-(trifluoromethyl)morpholino]thiazol-5-yl]ethan-1-amine Hydrochloride
CID 171505792
4-[5-Ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 174638142
4-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)morpholine
CID 122132950
4-tert-butyl-N-(2,2-difluoroethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 116318369
2-(4,4-Difluoropiperidin-1-yl)-5-ethyl-4-methyl-1,3-thiazole
CID 167862701
2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine
CID 171505793

Frequently Asked Questions

What is the IUPAC name of 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (CID 58486394) is 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is CC(C)(C)c1sc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is KQTFJDAGMLBPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-11(2,3)9-8(12(13,14)15)16-10(19-9)17-4-6-18-7-5-17/h4-7H2,1-3H3.
What are the key properties of 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 294.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-tert-butyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 58486394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).