3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide

C23H19N7OS — CID 70684848

IUPAC3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide
SMILESCc1cccc(-c2nc(NCc3cccc(C(N)=O)c3)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H19N7OS/c1-14-4-2-7-18(28-14)20-21(17-8-9-19-26-13-27-30(19)12-17)32-23(29-20)25-11-15-5-3-6-16(10-15)22(24)31/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,29)
InChIKeyRWKUOBJGDXCOKM-UHFFFAOYSA-N
MW441.52 g/mol
LogP3.93
Rot. Bonds6

About 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide

3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide (PubChem CID 70684848) has the molecular formula C23H19N7OS and a molecular weight of 441.52 g/mol. Its IUPAC name is 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide
PubChem CID70684848
Molecular FormulaC23H19N7OS
Molecular Weight441.52 g/mol
Exact Mass441.14
IUPAC Name3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide
SMILESCc1cccc(-c2nc(NCc3cccc(C(N)=O)c3)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H19N7OS/c1-14-4-2-7-18(28-14)20-21(17-8-9-19-26-13-27-30(19)12-17)32-23(29-20)25-11-15-5-3-6-16(10-15)22(24)31/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,29)
InChIKeyRWKUOBJGDXCOKM-UHFFFAOYSA-N
XLogP3.93
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide (CID 70684848) is 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide is Cc1cccc(-c2nc(NCc3cccc(C(N)=O)c3)sc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide?
The InChIKey is RWKUOBJGDXCOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS/c1-14-4-2-7-18(28-14)20-21(17-8-9-19-26-13-27-30(19)12-17)32-23(29-20)25-11-15-5-3-6-16(10-15)22(24)31/h2-10,12-13H,11H2,1H3,(H2,24,31)(H,25,29).
What are the key properties of 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide?
3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide has a molecular weight of 441.52 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 70684848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).