N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine

C23H20N6OS — CID 70697381

IUPACN-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1
InChIInChI=1S/C23H20N6OS/c1-15-5-3-8-19(27-15)21-22(17-9-10-20-25-14-26-29(20)13-17)31-23(28-21)24-12-16-6-4-7-18(11-16)30-2/h3-11,13-14H,12H2,1-2H3,(H,24,28)
InChIKeyZJHPTJJPYYJHCT-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.84
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 70697381) has the molecular formula C23H20N6OS and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID70697381
Molecular FormulaC23H20N6OS
Molecular Weight428.52 g/mol
Exact Mass428.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1
InChIInChI=1S/C23H20N6OS/c1-15-5-3-8-19(27-15)21-22(17-9-10-20-25-14-26-29(20)13-17)31-23(28-21)24-12-16-6-4-7-18(11-16)30-2/h3-11,13-14H,12H2,1-2H3,(H,24,28)
InChIKeyZJHPTJJPYYJHCT-UHFFFAOYSA-N
XLogP4.84
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (CID 70697381) is N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is COc1cccc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is ZJHPTJJPYYJHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6OS/c1-15-5-3-8-19(27-15)21-22(17-9-10-20-25-14-26-29(20)13-17)31-23(28-21)24-12-16-6-4-7-18(11-16)30-2/h3-11,13-14H,12H2,1-2H3,(H,24,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 428.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 70697381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).