N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine

C20H16N4OS — CID 155193076

IUPACN-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
SMILESc1cncc(CNc2ccc(Oc3ccc(-c4cncs4)cc3)nc2)c1
InChIInChI=1S/C20H16N4OS/c1-2-15(10-21-9-1)11-23-17-5-8-20(24-12-17)25-18-6-3-16(4-7-18)19-13-22-14-26-19/h1-10,12-14,23H,11H2
InChIKeyMKULFHFONPTOJN-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.00
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine

N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (PubChem CID 155193076) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
PubChem CID155193076
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
SMILESc1cncc(CNc2ccc(Oc3ccc(-c4cncs4)cc3)nc2)c1
InChIInChI=1S/C20H16N4OS/c1-2-15(10-21-9-1)11-23-17-5-8-20(24-12-17)25-18-6-3-16(4-7-18)19-13-22-14-26-19/h1-10,12-14,23H,11H2
InChIKeyMKULFHFONPTOJN-UHFFFAOYSA-N
XLogP5.00
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (CID 155193076) is N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is c1cncc(CNc2ccc(Oc3ccc(-c4cncs4)cc3)nc2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The InChIKey is MKULFHFONPTOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-2-15(10-21-9-1)11-23-17-5-8-20(24-12-17)25-18-6-3-16(4-7-18)19-13-22-14-26-19/h1-10,12-14,23H,11H2.
What are the key properties of N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine has a molecular weight of 360.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 155193076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).