N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C20H12F3N5OS — CID 44540512

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1csc(C(F)(F)F)n1
InChIInChI=1S/C20H12F3N5OS/c21-20(22,23)19-27-17(9-30-19)18(29)26-15-6-10(7-16-13(15)8-25-28-16)11-2-1-3-14-12(11)4-5-24-14/h1-9,24H,(H,25,28)(H,26,29)
InChIKeyGWNGHQIQIKHXBW-UHFFFAOYSA-N
MW427.41 g/mol
LogP5.44
Rot. Bonds3

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 44540512) has the molecular formula C20H12F3N5OS and a molecular weight of 427.41 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID44540512
Molecular FormulaC20H12F3N5OS
Molecular Weight427.41 g/mol
Exact Mass427.07
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1csc(C(F)(F)F)n1
InChIInChI=1S/C20H12F3N5OS/c21-20(22,23)19-27-17(9-30-19)18(29)26-15-6-10(7-16-13(15)8-25-28-16)11-2-1-3-14-12(11)4-5-24-14/h1-9,24H,(H,25,28)(H,26,29)
InChIKeyGWNGHQIQIKHXBW-UHFFFAOYSA-N
XLogP5.44
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.41
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 44540512) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1csc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GWNGHQIQIKHXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5OS/c21-20(22,23)19-27-17(9-30-19)18(29)26-15-6-10(7-16-13(15)8-25-28-16)11-2-1-3-14-12(11)4-5-24-14/h1-9,24H,(H,25,28)(H,26,29).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 5.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44540512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).