5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine

C17H18N4OS — CID 146770440

IUPAC5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESCC(C)c1ncc(-c2cnc(N)c(OCc3ccncc3)c2)s1
InChIInChI=1S/C17H18N4OS/c1-11(2)17-21-9-15(23-17)13-7-14(16(18)20-8-13)22-10-12-3-5-19-6-4-12/h3-9,11H,10H2,1-2H3,(H2,18,20)
InChIKeyRRNMPFOQNJDVDZ-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.88
Rot. Bonds5

About 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine

5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine (PubChem CID 146770440) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
PubChem CID146770440
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESCC(C)c1ncc(-c2cnc(N)c(OCc3ccncc3)c2)s1
InChIInChI=1S/C17H18N4OS/c1-11(2)17-21-9-15(23-17)13-7-14(16(18)20-8-13)22-10-12-3-5-19-6-4-12/h3-9,11H,10H2,1-2H3,(H2,18,20)
InChIKeyRRNMPFOQNJDVDZ-UHFFFAOYSA-N
XLogP3.88
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The IUPAC name of 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine (CID 146770440) is 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine is CC(C)c1ncc(-c2cnc(N)c(OCc3ccncc3)c2)s1.
What is the InChIKey of 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The InChIKey is RRNMPFOQNJDVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(2)17-21-9-15(23-17)13-7-14(16(18)20-8-13)22-10-12-3-5-19-6-4-12/h3-9,11H,10H2,1-2H3,(H2,18,20).
What are the key properties of 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine has a molecular weight of 326.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 146770440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).