4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

C16H18F3N3OS — CID 133449940

IUPAC4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)c1nnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)s1
InChIInChI=1S/C16H18F3N3OS/c1-10(2)14-20-21-15(24-14)22-7-8-23-13(9-22)11-3-5-12(6-4-11)16(17,18)19/h3-6,10,13H,7-9H2,1-2H3
InChIKeyHNUWPXLXSKRIKX-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.26
Rot. Bonds3

About 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449940) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449940
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)c1nnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)s1
InChIInChI=1S/C16H18F3N3OS/c1-10(2)14-20-21-15(24-14)22-7-8-23-13(9-22)11-3-5-12(6-4-11)16(17,18)19/h3-6,10,13H,7-9H2,1-2H3
InChIKeyHNUWPXLXSKRIKX-UHFFFAOYSA-N
XLogP4.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449791
2-methyl-3-oxo-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 122066523
4-(1-phenyltetrazol-5-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449904
(2S)-4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenyl)morpholine
CID 97069785
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449865
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
4-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449960
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449954
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449940) is 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is CC(C)c1nnc(N2CCOC(c3ccc(C(F)(F)F)cc3)C2)s1.
What is the InChIKey of 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is HNUWPXLXSKRIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c1-10(2)14-20-21-15(24-14)22-7-8-23-13(9-22)11-3-5-12(6-4-11)16(17,18)19/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 357.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).