5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C18H16FN5S — CID 44553776

IUPAC5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3cccc(F)c3)c3nncn3c2)s1
InChIInChI=1S/C18H16FN5S/c1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13/h3-11H,1-2H3,(H,20,22)
InChIKeyMZDXQITUWJTGPV-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.48
Rot. Bonds4

About 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 44553776) has the molecular formula C18H16FN5S and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID44553776
Molecular FormulaC18H16FN5S
Molecular Weight353.43 g/mol
Exact Mass353.11
IUPAC Name5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3cccc(F)c3)c3nncn3c2)s1
InChIInChI=1S/C18H16FN5S/c1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13/h3-11H,1-2H3,(H,20,22)
InChIKeyMZDXQITUWJTGPV-UHFFFAOYSA-N
XLogP4.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 44553776) is 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3cccc(F)c3)c3nncn3c2)s1.
What is the InChIKey of 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is MZDXQITUWJTGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5S/c1-11(2)22-18-20-8-16(25-18)13-7-15(12-4-3-5-14(19)6-12)17-23-21-10-24(17)9-13/h3-11H,1-2H3,(H,20,22).
What are the key properties of 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 353.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 44553776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).