1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C15H17F3N2O2S — CID 111466530

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ncsc1CNCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2S/c1-10-14(23-9-20-10)7-19-6-12(21)8-22-13-4-2-11(3-5-13)15(16,17)18/h2-5,9,12,19,21H,6-8H2,1H3
InChIKeyKKYBGKDIRSMAMG-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.00
Rot. Bonds7

About 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 111466530) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID111466530
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1ncsc1CNCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2S/c1-10-14(23-9-20-10)7-19-6-12(21)8-22-13-4-2-11(3-5-13)15(16,17)18/h2-5,9,12,19,21H,6-8H2,1H3
InChIKeyKKYBGKDIRSMAMG-UHFFFAOYSA-N
XLogP3.00
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-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-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 52501992
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111466430
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55173216
1-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 47072908
1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 110010314
1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518407
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
CID 94678499

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 111466530) is 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1ncsc1CNCC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is KKYBGKDIRSMAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-10-14(23-9-20-10)7-19-6-12(21)8-22-13-4-2-11(3-5-13)15(16,17)18/h2-5,9,12,19,21H,6-8H2,1H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 346.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 111466530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).