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

C20H13F3N4O2S — CID 18832383

IUPACN-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESO=C(Nc1nccs1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)17-14-5-6-15-13(7-9-29-15)16(14)27(26-17)12-3-1-11(2-4-12)18(28)25-19-24-8-10-30-19/h1-4,7-10H,5-6H2,(H,24,25,28)
InChIKeyDZMXUJBMKIJGRU-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.96
Rot. Bonds3

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

N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (PubChem CID 18832383) has the molecular formula C20H13F3N4O2S and a molecular weight of 430.41 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
PubChem CID18832383
Molecular FormulaC20H13F3N4O2S
Molecular Weight430.41 g/mol
Exact Mass430.07
IUPAC NameN-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide
SMILESO=C(Nc1nccs1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C20H13F3N4O2S/c21-20(22,23)17-14-5-6-15-13(7-9-29-15)16(14)27(26-17)12-3-1-11(2-4-12)18(28)25-19-24-8-10-30-19/h1-4,7-10H,5-6H2,(H,24,25,28)
InChIKeyDZMXUJBMKIJGRU-UHFFFAOYSA-N
XLogP4.96
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide (CID 18832383) is N-(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-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is O=C(Nc1nccs1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
The InChIKey is DZMXUJBMKIJGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2S/c21-20(22,23)17-14-5-6-15-13(7-9-29-15)16(14)27(26-17)12-3-1-11(2-4-12)18(28)25-19-24-8-10-30-19/h1-4,7-10H,5-6H2,(H,24,25,28).
What are the key properties of N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide?
N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide has a molecular weight of 430.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzamide is sourced from PubChem (CID 18832383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).