cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone

C16H15F3N2O2S — CID 86797984

IUPACcyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone
SMILESO=C(C1CC1)C1CN(c2nc3cc(C(F)(F)F)ccc3s2)CCO1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)10-3-4-13-11(7-10)20-15(24-13)21-5-6-23-12(8-21)14(22)9-1-2-9/h3-4,7,9,12H,1-2,5-6,8H2
InChIKeyPXXJCSLCRBTKQR-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.50
Rot. Bonds3

About cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone

cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone (PubChem CID 86797984) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone
PubChem CID86797984
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Namecyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone
SMILESO=C(C1CC1)C1CN(c2nc3cc(C(F)(F)F)ccc3s2)CCO1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)10-3-4-13-11(7-10)20-15(24-13)21-5-6-23-12(8-21)14(22)9-1-2-9/h3-4,7,9,12H,1-2,5-6,8H2
InChIKeyPXXJCSLCRBTKQR-UHFFFAOYSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone 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

N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide
CID 133321824
2-thiophen-2-yl-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
CID 133363493
N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
CID 71996631
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
CID 127494007
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 133318192
5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 100758069
N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
CID 133318977
N-cyclopropyl-4-(6-fluoro-1,3-benzothiazol-2-yl)morpholine-2-carboxamide
CID 155981171
4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
CID 166602705
methyl 2-hydroxy-2-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetate
CID 133398933
(3-methyl-1,2-oxazol-5-yl)-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone
CID 133319033
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133320724

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone?
The IUPAC name of cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone (CID 86797984) is cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone is O=C(C1CC1)C1CN(c2nc3cc(C(F)(F)F)ccc3s2)CCO1.
What is the InChIKey of cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone?
The InChIKey is PXXJCSLCRBTKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)10-3-4-13-11(7-10)20-15(24-13)21-5-6-23-12(8-21)14(22)9-1-2-9/h3-4,7,9,12H,1-2,5-6,8H2.
What are the key properties of cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone?
cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone has a molecular weight of 356.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone is sourced from PubChem (CID 86797984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).