6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine

C17H13FN6S — CID 69094239

IUPAC6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESNc1cccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C17H13FN6S/c18-12-5-2-1-4-11(12)10-24-16(17-20-8-9-25-17)22-15(23-24)13-6-3-7-14(19)21-13/h1-9H,10H2,(H2,19,21)
InChIKeyCECHVPUDFIOXLF-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.23
Rot. Bonds4

About 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine

6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 69094239) has the molecular formula C17H13FN6S and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID69094239
Molecular FormulaC17H13FN6S
Molecular Weight352.40 g/mol
Exact Mass352.09
IUPAC Name6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESNc1cccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C17H13FN6S/c18-12-5-2-1-4-11(12)10-24-16(17-20-8-9-25-17)22-15(23-24)13-6-3-7-14(19)21-13/h1-9H,10H2,(H2,19,21)
InChIKeyCECHVPUDFIOXLF-UHFFFAOYSA-N
XLogP3.23
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine (CID 69094239) is 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine is Nc1cccc(-c2nc(-c3nccs3)n(Cc3ccccc3F)n2)n1.
What is the InChIKey of 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is CECHVPUDFIOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6S/c18-12-5-2-1-4-11(12)10-24-16(17-20-8-9-25-17)22-15(23-24)13-6-3-7-14(19)21-13/h1-9H,10H2,(H2,19,21).
What are the key properties of 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine?
6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 352.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 69094239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).