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

C22H18N6S — CID 70682754

IUPACN-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccccc3)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H18N6S/c1-15-6-5-9-18(26-15)20-21(17-10-11-19-24-14-25-28(19)13-17)29-22(27-20)23-12-16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3,(H,23,27)
InChIKeyGSCVYTUEFYPEHY-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.84
Rot. Bonds5

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

N-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 70682754) has the molecular formula C22H18N6S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-benzyl-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-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID70682754
Molecular FormulaC22H18N6S
Molecular Weight398.50 g/mol
Exact Mass398.13
IUPAC NameN-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccccc3)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H18N6S/c1-15-6-5-9-18(26-15)20-21(17-10-11-19-24-14-25-28(19)13-17)29-22(27-20)23-12-16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3,(H,23,27)
InChIKeyGSCVYTUEFYPEHY-UHFFFAOYSA-N
XLogP4.84
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-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-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (CID 70682754) is N-benzyl-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-benzyl-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-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is Cc1cccc(-c2nc(NCc3ccccc3)sc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is GSCVYTUEFYPEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6S/c1-15-6-5-9-18(26-15)20-21(17-10-11-19-24-14-25-28(19)13-17)29-22(27-20)23-12-16-7-3-2-4-8-16/h2-11,13-14H,12H2,1H3,(H,23,27).
What are the key properties of N-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
N-benzyl-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 398.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-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 70682754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).