(4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C17H18F3N3O2S — CID 56763882

IUPAC(4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H18F3N3O2S/c1-2-3-13-15(26-22-21-13)16(24)23-8-9-25-14(10-23)11-4-6-12(7-5-11)17(18,19)20/h4-7,14H,2-3,8-10H2,1H3
InChIKeyAQNSZBFXVMNRAG-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.72
Rot. Bonds4

About (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

(4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 56763882) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID56763882
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name(4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H18F3N3O2S/c1-2-3-13-15(26-22-21-13)16(24)23-8-9-25-14(10-23)11-4-6-12(7-5-11)17(18,19)20/h4-7,14H,2-3,8-10H2,1H3
InChIKeyAQNSZBFXVMNRAG-UHFFFAOYSA-N
XLogP3.72
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-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

Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 56763882) is (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is CCCc1nnsc1C(=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is AQNSZBFXVMNRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-2-3-13-15(26-22-21-13)16(24)23-8-9-25-14(10-23)11-4-6-12(7-5-11)17(18,19)20/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 385.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56763882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).