2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine

C15H10FN5S — CID 163322820

IUPAC2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine
SMILESNc1nc(-c2cccc(F)c2)nn1-c1nc2ccccc2s1
InChIInChI=1S/C15H10FN5S/c16-10-5-3-4-9(8-10)13-19-14(17)21(20-13)15-18-11-6-1-2-7-12(11)22-15/h1-8H,(H2,17,19,20)
InChIKeyAONGJSUKEFTXAS-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.27
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine

2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine (PubChem CID 163322820) has the molecular formula C15H10FN5S and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine
PubChem CID163322820
Molecular FormulaC15H10FN5S
Molecular Weight311.35 g/mol
Exact Mass311.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine
SMILESNc1nc(-c2cccc(F)c2)nn1-c1nc2ccccc2s1
InChIInChI=1S/C15H10FN5S/c16-10-5-3-4-9(8-10)13-19-14(17)21(20-13)15-18-11-6-1-2-7-12(11)22-15/h1-8H,(H2,17,19,20)
InChIKeyAONGJSUKEFTXAS-UHFFFAOYSA-N
XLogP3.27
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzothiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976966
2-(1,3-benzothiazol-2-yl)-5-ethoxy-1,2,4-triazol-3-amine
CID 79872179
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268244
2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 45496469
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65353442
[4-[[5-amino-1-(1,3-benzothiazol-2-yl)-1,2,4-triazol-3-yl]amino]phenyl]methanol
CID 58976496
2-(3-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 62192602
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117133013
1-(1,3-benzothiazol-2-yl)-3-N-(9H-fluoren-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976847
1-(1,3-benzothiazol-2-yl)pyrazol-3-amine
CID 57073470
1-(1,3-benzothiazol-2-yl)-N-[[2-(3-fluorophenyl)phenyl]methyl]pyrazole-4-carboxamide
CID 129051124

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine (CID 163322820) is 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine is Nc1nc(-c2cccc(F)c2)nn1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine?
The InChIKey is AONGJSUKEFTXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5S/c16-10-5-3-4-9(8-10)13-19-14(17)21(20-13)15-18-11-6-1-2-7-12(11)22-15/h1-8H,(H2,17,19,20).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine?
2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine has a molecular weight of 311.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-(3-fluorophenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 163322820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).