(2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C15H18F3N3O2S2 — CID 97213727

IUPAC(2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCSc1nnc(CN(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H18F3N3O2S2/c1-21(8-13-19-20-14(24-2)25-13)7-11(22)9-23-12-5-3-10(4-6-12)15(16,17)18/h3-6,11,22H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyPZQTUQPGTBSEHK-LLVKDONJSA-N
MW393.46 g/mol
LogP3.15
Rot. Bonds8

About (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

(2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 97213727) has the molecular formula C15H18F3N3O2S2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID97213727
Molecular FormulaC15H18F3N3O2S2
Molecular Weight393.46 g/mol
Exact Mass393.08
IUPAC Name(2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCSc1nnc(CN(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H18F3N3O2S2/c1-21(8-13-19-20-14(24-2)25-13)7-11(22)9-23-12-5-3-10(4-6-12)15(16,17)18/h3-6,11,22H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyPZQTUQPGTBSEHK-LLVKDONJSA-N
XLogP3.15
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol 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

1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-(4-tert-butylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936164
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119298814
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 47060282
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456
2-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol
CID 75418133
1-(4-tert-butylphenoxy)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 110879373
methyl 3-[2-hydroxy-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propoxy]benzoate
CID 17477681

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 97213727) is (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is CSc1nnc(CN(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is PZQTUQPGTBSEHK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F3N3O2S2/c1-21(8-13-19-20-14(24-2)25-13)7-11(22)9-23-12-5-3-10(4-6-12)15(16,17)18/h3-6,11,22H,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
(2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 393.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 97213727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).