(2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

C24H20F2N6OS2 — CID 10207724

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCc1nc(-c2ccc(-c3csc([C@H](C)[C@](O)(Cn4cncn4)c4ccc(F)cc4F)n3)cc2)ns1
InChIInChI=1S/C24H20F2N6OS2/c1-14(24(33,11-32-13-27-12-28-32)19-8-7-18(25)9-20(19)26)23-30-21(10-34-23)16-3-5-17(6-4-16)22-29-15(2)35-31-22/h3-10,12-14,33H,11H2,1-2H3/t14-,24+/m0/s1
InChIKeyJJLZLZDSJYUWTD-LFPIHBKWSA-N
MW510.60 g/mol
LogP5.20
Rot. Bonds7

About (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 10207724) has the molecular formula C24H20F2N6OS2 and a molecular weight of 510.60 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID10207724
Molecular FormulaC24H20F2N6OS2
Molecular Weight510.60 g/mol
Exact Mass510.11
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCc1nc(-c2ccc(-c3csc([C@H](C)[C@](O)(Cn4cncn4)c4ccc(F)cc4F)n3)cc2)ns1
InChIInChI=1S/C24H20F2N6OS2/c1-14(24(33,11-32-13-27-12-28-32)19-8-7-18(25)9-20(19)26)23-30-21(10-34-23)16-3-5-17(6-4-16)22-29-15(2)35-31-22/h3-10,12-14,33H,11H2,1-2H3/t14-,24+/m0/s1
InChIKeyJJLZLZDSJYUWTD-LFPIHBKWSA-N
XLogP5.20
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-3-[4-[4-(methylideneamino)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18710280
(2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-[4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10304405
4-[2-[3-hydroxy-4-(1,2,4-triazol-1-yl)-3-(2,4,5-trifluorophenyl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
CID 22645608
4-[2-[6-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-7-(2,4-difluorophenyl)-3,7-dihydroxy-4,8-bis(1,2,4-triazol-1-yl)-3-(2,4,5-trifluorophenyl)octan-2-yl]-1,3-thiazol-4-yl]benzonitrile
CID 91593368
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;hydrochloride
CID 66546618
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol;methane
CID 164966087
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
[(3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl] dihydrogen phosphate
CID 59963583
1-(2,4-difluorophenyl)-1-[4-[4-(2H-tetrazol-5-yl)phenyl]-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)ethanol
CID 10575613
(2R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 16760226
disodium;[(3R)-2-(2,4-difluorophenyl)-3-[4-[4-(methylideneamino)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-yl] phosphate
CID 59966589

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 10207724) is (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is Cc1nc(-c2ccc(-c3csc([C@H](C)[C@](O)(Cn4cncn4)c4ccc(F)cc4F)n3)cc2)ns1.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is JJLZLZDSJYUWTD-LFPIHBKWSA-N. The full InChI is InChI=1S/C24H20F2N6OS2/c1-14(24(33,11-32-13-27-12-28-32)19-8-7-18(25)9-20(19)26)23-30-21(10-34-23)16-3-5-17(6-4-16)22-29-15(2)35-31-22/h3-10,12-14,33H,11H2,1-2H3/t14-,24+/m0/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 510.60 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-3-[4-[4-(5-methyl-1,2,4-thiadiazol-3-yl)phenyl]-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 10207724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).