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

C12H12F3N3OS — CID 107304943

IUPAC3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESOCC(Cc1ccccc1)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C12H12F3N3OS/c13-12(14,15)10-17-11(20-18-10)16-9(7-19)6-8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,16,17,18)
InChIKeyHQUJYXBGPQQVEA-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.57
Rot. Bonds5

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

3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (PubChem CID 107304943) has the molecular formula C12H12F3N3OS and a molecular weight of 303.31 g/mol. Its IUPAC name is 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
PubChem CID107304943
Molecular FormulaC12H12F3N3OS
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESOCC(Cc1ccccc1)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C12H12F3N3OS/c13-12(14,15)10-17-11(20-18-10)16-9(7-19)6-8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,16,17,18)
InChIKeyHQUJYXBGPQQVEA-UHFFFAOYSA-N
XLogP2.57
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95325911
2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
CID 65277594
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
2-phenyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304326
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 65270930
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882
N-pyridin-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 90133926
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80828045
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
4-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]phenol
CID 107304807
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The IUPAC name of 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (CID 107304943) is 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is OCC(Cc1ccccc1)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The InChIKey is HQUJYXBGPQQVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS/c13-12(14,15)10-17-11(20-18-10)16-9(7-19)6-8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,16,17,18).
What are the key properties of 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol has a molecular weight of 303.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 107304943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).