(5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one

C10H7F2N3OS — CID 175958529

IUPAC(5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one
SMILESO=c1[nH]nc2n1[C@@H](c1cc(F)cc(F)c1)CS2
InChIInChI=1S/C10H7F2N3OS/c11-6-1-5(2-7(12)3-6)8-4-17-10-14-13-9(16)15(8)10/h1-3,8H,4H2,(H,13,16)/t8-/m1/s1
InChIKeyBCGHDGAWXRGCMU-MRVPVSSYSA-N
MW255.25 g/mol
LogP1.54
Rot. Bonds1

About (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one

(5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one (PubChem CID 175958529) has the molecular formula C10H7F2N3OS and a molecular weight of 255.25 g/mol. Its IUPAC name is (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one.

Molecular Properties

Compound Name(5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one
PubChem CID175958529
Molecular FormulaC10H7F2N3OS
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name(5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one
SMILESO=c1[nH]nc2n1[C@@H](c1cc(F)cc(F)c1)CS2
InChIInChI=1S/C10H7F2N3OS/c11-6-1-5(2-7(12)3-6)8-4-17-10-14-13-9(16)15(8)10/h1-3,8H,4H2,(H,13,16)/t8-/m1/s1
InChIKeyBCGHDGAWXRGCMU-MRVPVSSYSA-N
XLogP1.54
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one
CID 170345826
5-(3-chloro-5-fluoro-4-methylphenyl)-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345708
3-[2-(2-aminoethyl)-4-fluorophenyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 63818496
3-bromo-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 18947673
(5R)-5-(3,5-difluorophenyl)pyrrolidin-2-one
CID 130659589
2-(3,5-difluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 68604414
2-(3,5-difluorophenyl)-4-oxopiperidine-1-carboxylic acid
CID 90948947
5-(3,5-difluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 106534625
(2S)-2-(3-bromo-5-fluorophenyl)azetidine
CID 130705750
5-(3,5-difluorophenyl)oxolan-2-one
CID 103689349
3-[(3-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 79701306
2-(3,5-difluorophenyl)-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 167460339

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one?
The IUPAC name of (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one (CID 175958529) is (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one.
What is the SMILES notation for (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one?
The canonical SMILES for (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one is O=c1[nH]nc2n1[C@@H](c1cc(F)cc(F)c1)CS2.
What is the InChIKey of (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one?
The InChIKey is BCGHDGAWXRGCMU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H7F2N3OS/c11-6-1-5(2-7(12)3-6)8-4-17-10-14-13-9(16)15(8)10/h1-3,8H,4H2,(H,13,16)/t8-/m1/s1.
What are the key properties of (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one?
(5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one has a molecular weight of 255.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,5-difluorophenyl)-5,6-dihydro-2H-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-one is sourced from PubChem (CID 175958529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).