N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide

C26H17F3N4O2S — CID 18832471

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C26H17F3N4O2S/c27-26(28,29)23-19-10-11-21-18(12-13-35-21)22(19)33(32-23)17-8-6-16(7-9-17)24(34)31-25-30-20(14-36-25)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,30,31,34)
InChIKeyQDGVRRKMNLDCKV-UHFFFAOYSA-N
MW506.51 g/mol
LogP6.63
Rot. Bonds4

About N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide

N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (PubChem CID 18832471) has the molecular formula C26H17F3N4O2S and a molecular weight of 506.51 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
PubChem CID18832471
Molecular FormulaC26H17F3N4O2S
Molecular Weight506.51 g/mol
Exact Mass506.10
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C26H17F3N4O2S/c27-26(28,29)23-19-10-11-21-18(12-13-35-21)22(19)33(32-23)17-8-6-16(7-9-17)24(34)31-25-30-20(14-36-25)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,30,31,34)
InChIKeyQDGVRRKMNLDCKV-UHFFFAOYSA-N
XLogP6.63
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.51
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
CID 18832320
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
CID 176859269
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43071659
4-(furan-2-ylmethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 17404485
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (CID 18832471) is N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The InChIKey is QDGVRRKMNLDCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O2S/c27-26(28,29)23-19-10-11-21-18(12-13-35-21)22(19)33(32-23)17-8-6-16(7-9-17)24(34)31-25-30-20(14-36-25)15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,30,31,34).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide has a molecular weight of 506.51 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is sourced from PubChem (CID 18832471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).