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

C21H18N4OS — CID 155192111

IUPAC4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
SMILESCc1cc(Oc2ccc(-c3cncs3)cc2)ncc1NCc1cccnc1
InChIInChI=1S/C21H18N4OS/c1-15-9-21(25-12-19(15)24-11-16-3-2-8-22-10-16)26-18-6-4-17(5-7-18)20-13-23-14-27-20/h2-10,12-14,24H,11H2,1H3
InChIKeyBHDPFAYTIISUMH-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.31
Rot. Bonds6

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

4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (PubChem CID 155192111) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
PubChem CID155192111
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine
SMILESCc1cc(Oc2ccc(-c3cncs3)cc2)ncc1NCc1cccnc1
InChIInChI=1S/C21H18N4OS/c1-15-9-21(25-12-19(15)24-11-16-3-2-8-22-10-16)26-18-6-4-17(5-7-18)20-13-23-14-27-20/h2-10,12-14,24H,11H2,1H3
InChIKeyBHDPFAYTIISUMH-UHFFFAOYSA-N
XLogP5.31
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine (CID 155192111) is 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is Cc1cc(Oc2ccc(-c3cncs3)cc2)ncc1NCc1cccnc1.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
The InChIKey is BHDPFAYTIISUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-9-21(25-12-19(15)24-11-16-3-2-8-22-10-16)26-18-6-4-17(5-7-18)20-13-23-14-27-20/h2-10,12-14,24H,11H2,1H3.
What are the key properties of 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine?
4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine has a molecular weight of 374.47 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethyl)-6-[4-(1,3-thiazol-5-yl)phenoxy]pyridin-3-amine is sourced from PubChem (CID 155192111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).