4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine

C20H19FN6S — CID 155553367

IUPAC4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4n[nH]c5c4CCCC5)n3)cc2F)cn1
InChIInChI=1S/C20H19FN6S/c1-12-9-27(11-22-12)18-7-6-13(8-15(18)21)17-10-28-20(23-17)24-19-14-4-2-3-5-16(14)25-26-19/h6-11H,2-5H2,1H3,(H2,23,24,25,26)
InChIKeyFFLMDUMVJLCEEY-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.79
Rot. Bonds4

About 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine

4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 155553367) has the molecular formula C20H19FN6S and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine
PubChem CID155553367
Molecular FormulaC20H19FN6S
Molecular Weight394.48 g/mol
Exact Mass394.14
IUPAC Name4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4n[nH]c5c4CCCC5)n3)cc2F)cn1
InChIInChI=1S/C20H19FN6S/c1-12-9-27(11-22-12)18-7-6-13(8-15(18)21)17-10-28-20(23-17)24-19-14-4-2-3-5-16(14)25-26-19/h6-11H,2-5H2,1H3,(H2,23,24,25,26)
InChIKeyFFLMDUMVJLCEEY-UHFFFAOYSA-N
XLogP4.79
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine (CID 155553367) is 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine is Cc1cn(-c2ccc(-c3csc(Nc4n[nH]c5c4CCCC5)n3)cc2F)cn1.
What is the InChIKey of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is FFLMDUMVJLCEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6S/c1-12-9-27(11-22-12)18-7-6-13(8-15(18)21)17-10-28-20(23-17)24-19-14-4-2-3-5-16(14)25-26-19/h6-11H,2-5H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine?
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 394.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155553367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).