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

C22H16Cl2N6S — CID 70697386

IUPACN-[(2,3-dichlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3cccc(Cl)c3Cl)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H16Cl2N6S/c1-13-4-2-7-17(28-13)20-21(15-8-9-18-26-12-27-30(18)11-15)31-22(29-20)25-10-14-5-3-6-16(23)19(14)24/h2-9,11-12H,10H2,1H3,(H,25,29)
InChIKeyMHWCSGRDASEMOM-UHFFFAOYSA-N
MW467.39 g/mol
LogP6.14
Rot. Bonds5

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

N-[(2,3-dichlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 70697386) has the molecular formula C22H16Cl2N6S and a molecular weight of 467.39 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)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-[(2,3-dichlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID70697386
Molecular FormulaC22H16Cl2N6S
Molecular Weight467.39 g/mol
Exact Mass466.05
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3cccc(Cl)c3Cl)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H16Cl2N6S/c1-13-4-2-7-17(28-13)20-21(15-8-9-18-26-12-27-30(18)11-15)31-22(29-20)25-10-14-5-3-6-16(23)19(14)24/h2-9,11-12H,10H2,1H3,(H,25,29)
InChIKeyMHWCSGRDASEMOM-UHFFFAOYSA-N
XLogP6.14
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.39
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)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-[(2,3-dichlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (CID 70697386) is N-[(2,3-dichlorophenyl)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-[(2,3-dichlorophenyl)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-[(2,3-dichlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is Cc1cccc(-c2nc(NCc3cccc(Cl)c3Cl)sc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[(2,3-dichlorophenyl)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 MHWCSGRDASEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N6S/c1-13-4-2-7-17(28-13)20-21(15-8-9-18-26-12-27-30(18)11-15)31-22(29-20)25-10-14-5-3-6-16(23)19(14)24/h2-9,11-12H,10H2,1H3,(H,25,29).
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
N-[(2,3-dichlorophenyl)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 467.39 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)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 70697386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).