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

C18H15F2N5S — CID 44553940

IUPAC5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(F)c(F)c3)c3nncn3c2)s1
InChIInChI=1S/C18H15F2N5S/c1-10(2)23-18-21-7-16(26-18)12-5-13(17-24-22-9-25(17)8-12)11-3-4-14(19)15(20)6-11/h3-10H,1-2H3,(H,21,23)
InChIKeyYHAVEEWJFCXROH-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.62
Rot. Bonds4

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

5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 44553940) has the molecular formula C18H15F2N5S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID44553940
Molecular FormulaC18H15F2N5S
Molecular Weight371.42 g/mol
Exact Mass371.10
IUPAC Name5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccc(F)c(F)c3)c3nncn3c2)s1
InChIInChI=1S/C18H15F2N5S/c1-10(2)23-18-21-7-16(26-18)12-5-13(17-24-22-9-25(17)8-12)11-3-4-14(19)15(20)6-11/h3-10H,1-2H3,(H,21,23)
InChIKeyYHAVEEWJFCXROH-UHFFFAOYSA-N
XLogP4.62
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(3,4-difluorophenyl)-[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-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 44553940) is 5-[8-(3,4-difluorophenyl)-[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-(3,4-difluorophenyl)-[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-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3ccc(F)c(F)c3)c3nncn3c2)s1.
What is the InChIKey of 5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is YHAVEEWJFCXROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5S/c1-10(2)23-18-21-7-16(26-18)12-5-13(17-24-22-9-25(17)8-12)11-3-4-14(19)15(20)6-11/h3-10H,1-2H3,(H,21,23).
What are the key properties of 5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 371.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 44553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).