5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol

C21H15ClF3N3OS2 — CID 137073006

IUPAC5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol
SMILESCCSc1nc(O)c(C(Cc2ccc(Cl)cc2C(F)(F)F)=c2ccc3c(c2)C=NN=3)s1
InChIInChI=1S/C21H15ClF3N3OS2/c1-2-30-20-27-19(29)18(31-20)15(11-4-6-17-13(7-11)10-26-28-17)8-12-3-5-14(22)9-16(12)21(23,24)25/h3-7,9-10,29H,2,8H2,1H3
InChIKeyGZBUYPLRBRSFEN-UHFFFAOYSA-N
MW481.95 g/mol
LogP5.04
Rot. Bonds5

About 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol

5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol (PubChem CID 137073006) has the molecular formula C21H15ClF3N3OS2 and a molecular weight of 481.95 g/mol. Its IUPAC name is 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol
PubChem CID137073006
Molecular FormulaC21H15ClF3N3OS2
Molecular Weight481.95 g/mol
Exact Mass481.03
IUPAC Name5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol
SMILESCCSc1nc(O)c(C(Cc2ccc(Cl)cc2C(F)(F)F)=c2ccc3c(c2)C=NN=3)s1
InChIInChI=1S/C21H15ClF3N3OS2/c1-2-30-20-27-19(29)18(31-20)15(11-4-6-17-13(7-11)10-26-28-17)8-12-3-5-14(22)9-16(12)21(23,24)25/h3-7,9-10,29H,2,8H2,1H3
InChIKeyGZBUYPLRBRSFEN-UHFFFAOYSA-N
XLogP5.04
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.95
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-fluoro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-methylsulfanyl-1,3-thiazol-4-ol
CID 137150234
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-(3-fluoroazetidin-1-yl)-1,3-thiazol-4-ol
CID 137094665
1-[[5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]amino]cyclopropane-1-carboxylic acid
CID 137062676
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-1,3-thiazol-4-ol
CID 137083719
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-3,4-dihydroxy-1,3-thiazol-2-one
CID 137068346
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1,3-thiazol-4-ol
CID 137159426
(2S)-1-[5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 137082093
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]-1,3-thiazol-4-ol
CID 137156348
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
CID 137097290
3-[[4-(aminomethyl)cyclohexyl]methyl]-5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-one
CID 173048289
2-(3-aminoazetidin-1-yl)-5-[2-[2,4-bis(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-1,3-thiazol-4-ol
CID 137118022
3-[(1-aminocyclobutyl)methyl]-5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-4-hydroxy-1,3-thiazol-2-one
CID 137084057

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol?
The IUPAC name of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol (CID 137073006) is 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol?
The canonical SMILES for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol is CCSc1nc(O)c(C(Cc2ccc(Cl)cc2C(F)(F)F)=c2ccc3c(c2)C=NN=3)s1.
What is the InChIKey of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol?
The InChIKey is GZBUYPLRBRSFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3OS2/c1-2-30-20-27-19(29)18(31-20)15(11-4-6-17-13(7-11)10-26-28-17)8-12-3-5-14(22)9-16(12)21(23,24)25/h3-7,9-10,29H,2,8H2,1H3.
What are the key properties of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol?
5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol has a molecular weight of 481.95 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-indazol-5-ylideneethyl]-2-ethylsulfanyl-1,3-thiazol-4-ol is sourced from PubChem (CID 137073006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).