2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol

C19H16F2N4OS2 — CID 68502385

IUPAC2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol
SMILESCc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCO)c2ccccc2)s1
InChIInChI=1S/C19H16F2N4OS2/c1-12-22-23-18(27-12)25-19(9-10-26,13-5-3-2-4-6-13)28-17(24-25)15-11-14(20)7-8-16(15)21/h2-8,11,26H,9-10H2,1H3
InChIKeyFUDWKRGHSPMLNT-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.28
Rot. Bonds5

About 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol

2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol (PubChem CID 68502385) has the molecular formula C19H16F2N4OS2 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol
PubChem CID68502385
Molecular FormulaC19H16F2N4OS2
Molecular Weight418.49 g/mol
Exact Mass418.07
IUPAC Name2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol
SMILESCc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCO)c2ccccc2)s1
InChIInChI=1S/C19H16F2N4OS2/c1-12-22-23-18(27-12)25-19(9-10-26,13-5-3-2-4-6-13)28-17(24-25)15-11-14(20)7-8-16(15)21/h2-8,11,26H,9-10H2,1H3
InChIKeyFUDWKRGHSPMLNT-UHFFFAOYSA-N
XLogP4.28
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole
CID 68504134
N'-[2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl-methylamino]ethanimidamide
CID 68503309
4-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]-N'-methoxybutanimidamide
CID 91303689
1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-2,3-dimethylguanidine
CID 68785456
N-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propyl]-3-(dimethylamino)propanamide
CID 68505728
2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide
CID 68507267
2-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol
CID 59463930
3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 90269190
3-[5-(2,5-difluorophenyl)-2-(2-methylphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)propan-1-amine
CID 68507562
CID 147457228
CID 147457228
3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)propan-1-amine
CID 87573950
5-(2,5-difluorophenyl)-2-(2-hydroxyethyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
CID 87391567

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol?
The IUPAC name of 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol (CID 68502385) is 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol is Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCO)c2ccccc2)s1.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol?
The InChIKey is FUDWKRGHSPMLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4OS2/c1-12-22-23-18(27-12)25-19(9-10-26,13-5-3-2-4-6-13)28-17(24-25)15-11-14(20)7-8-16(15)21/h2-8,11,26H,9-10H2,1H3.
What are the key properties of 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol?
2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol has a molecular weight of 418.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol is sourced from PubChem (CID 68502385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).