4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine

C21H18FN5S — CID 155539796

IUPAC4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(F)cc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C21H18FN5S/c22-16-8-6-14(7-9-16)12-17(23)19-13-28-21(24-19)25-20-11-10-18(26-27-20)15-4-2-1-3-5-15/h1-11,13,17H,12,23H2,(H,24,25,27)
InChIKeyZNSRWDSHZZHZEV-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.73
Rot. Bonds6

About 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine

4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine (PubChem CID 155539796) has the molecular formula C21H18FN5S and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
PubChem CID155539796
Molecular FormulaC21H18FN5S
Molecular Weight391.48 g/mol
Exact Mass391.13
IUPAC Name4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(F)cc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C21H18FN5S/c22-16-8-6-14(7-9-16)12-17(23)19-13-28-21(24-19)25-20-11-10-18(26-27-20)15-4-2-1-3-5-15/h1-11,13,17H,12,23H2,(H,24,25,27)
InChIKeyZNSRWDSHZZHZEV-UHFFFAOYSA-N
XLogP4.73
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine (CID 155539796) is 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine is NC(Cc1ccc(F)cc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1.
What is the InChIKey of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is ZNSRWDSHZZHZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5S/c22-16-8-6-14(7-9-16)12-17(23)19-13-28-21(24-19)25-20-11-10-18(26-27-20)15-4-2-1-3-5-15/h1-11,13,17H,12,23H2,(H,24,25,27).
What are the key properties of 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 391.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155539796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).