2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol

C18H16F3N3OS — CID 133458145

IUPAC2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
SMILESCC(O)(CNc1nnc(Cc2ccc(F)cc2)s1)c1ccc(F)cc1F
InChIInChI=1S/C18H16F3N3OS/c1-18(25,14-7-6-13(20)9-15(14)21)10-22-17-24-23-16(26-17)8-11-2-4-12(19)5-3-11/h2-7,9,25H,8,10H2,1H3,(H,22,24)
InChIKeySSUYEOIJHVFEPZ-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.87
Rot. Bonds6

About 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol

2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol (PubChem CID 133458145) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
PubChem CID133458145
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
SMILESCC(O)(CNc1nnc(Cc2ccc(F)cc2)s1)c1ccc(F)cc1F
InChIInChI=1S/C18H16F3N3OS/c1-18(25,14-7-6-13(20)9-15(14)21)10-22-17-24-23-16(26-17)8-11-2-4-12(19)5-3-11/h2-7,9,25H,8,10H2,1H3,(H,22,24)
InChIKeySSUYEOIJHVFEPZ-UHFFFAOYSA-N
XLogP3.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
N-[1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133457944
1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133465775
2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 133466123
5-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,3,4-thiadiazol-2-amine
CID 133465791
5-fluoro-2-(trifluoromethyl)-N'-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-yl]benzohydrazide
CID 87532913
3-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N,2,2-trimethylpropanamide
CID 133494986
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133456031
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111335461
N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide
CID 133457957

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol (CID 133458145) is 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol is CC(O)(CNc1nnc(Cc2ccc(F)cc2)s1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
The InChIKey is SSUYEOIJHVFEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-18(25,14-7-6-13(20)9-15(14)21)10-22-17-24-23-16(26-17)8-11-2-4-12(19)5-3-11/h2-7,9,25H,8,10H2,1H3,(H,22,24).
What are the key properties of 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol?
2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol has a molecular weight of 379.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 133458145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).