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

C24H22N6S — CID 70682763

IUPACN-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1
InChIInChI=1S/C24H22N6S/c1-15-9-16(2)11-18(10-15)12-25-24-29-22(20-6-4-5-17(3)28-20)23(31-24)19-7-8-21-26-14-27-30(21)13-19/h4-11,13-14H,12H2,1-3H3,(H,25,29)
InChIKeyIXHWEVQIYXKCCA-UHFFFAOYSA-N
MW426.55 g/mol
LogP5.45
Rot. Bonds5

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

N-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 70682763) has the molecular formula C24H22N6S and a molecular weight of 426.55 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)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-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID70682763
Molecular FormulaC24H22N6S
Molecular Weight426.55 g/mol
Exact Mass426.16
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1
InChIInChI=1S/C24H22N6S/c1-15-9-16(2)11-18(10-15)12-25-24-29-22(20-6-4-5-17(3)28-20)23(31-24)19-7-8-21-26-14-27-30(21)13-19/h4-11,13-14H,12H2,1-3H3,(H,25,29)
InChIKeyIXHWEVQIYXKCCA-UHFFFAOYSA-N
XLogP5.45
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)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-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (CID 70682763) is N-[(3,5-dimethylphenyl)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-[(3,5-dimethylphenyl)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-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is Cc1cc(C)cc(CNc2nc(-c3cccc(C)n3)c(-c3ccc4ncnn4c3)s2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)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 IXHWEVQIYXKCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6S/c1-15-9-16(2)11-18(10-15)12-25-24-29-22(20-6-4-5-17(3)28-20)23(31-24)19-7-8-21-26-14-27-30(21)13-19/h4-11,13-14H,12H2,1-3H3,(H,25,29).
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
N-[(3,5-dimethylphenyl)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 426.55 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)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 70682763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).