N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide

C19H12F2N4OS — CID 72628219

IUPACN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)c1cncs1
InChIInChI=1S/C19H12F2N4OS/c20-12-4-1-11(2-5-12)3-6-15-13-7-17(14(21)8-16(13)25-24-15)23-19(26)18-9-22-10-27-18/h1-10H,(H,23,26)(H,24,25)
InChIKeyREJLOZYHTDSPRG-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.72
Rot. Bonds4

About N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 72628219) has the molecular formula C19H12F2N4OS and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID72628219
Molecular FormulaC19H12F2N4OS
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)c1cncs1
InChIInChI=1S/C19H12F2N4OS/c20-12-4-1-11(2-5-12)3-6-15-13-7-17(14(21)8-16(13)25-24-15)23-19(26)18-9-22-10-27-18/h1-10H,(H,23,26)(H,24,25)
InChIKeyREJLOZYHTDSPRG-UHFFFAOYSA-N
XLogP4.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide (CID 72628219) is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F)c1cncs1.
What is the InChIKey of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is REJLOZYHTDSPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4OS/c20-12-4-1-11(2-5-12)3-6-15-13-7-17(14(21)8-16(13)25-24-15)23-19(26)18-9-22-10-27-18/h1-10H,(H,23,26)(H,24,25).
What are the key properties of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide?
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72628219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).