4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine

C22H24N6O2S2 — CID 145191520

IUPAC4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine
SMILESCOc1cccc(OC)c1-n1c(NSCCc2nc(C)cs2)nnc1-c1cncc(C)c1
InChIInChI=1S/C22H24N6O2S2/c1-14-10-16(12-23-11-14)21-25-26-22(27-32-9-8-19-24-15(2)13-31-19)28(21)20-17(29-3)6-5-7-18(20)30-4/h5-7,10-13H,8-9H2,1-4H3,(H,26,27)
InChIKeyGBNCSDIGCGIAHD-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.72
Rot. Bonds9

About 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine

4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine (PubChem CID 145191520) has the molecular formula C22H24N6O2S2 and a molecular weight of 468.61 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine
PubChem CID145191520
Molecular FormulaC22H24N6O2S2
Molecular Weight468.61 g/mol
Exact Mass468.14
IUPAC Name4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine
SMILESCOc1cccc(OC)c1-n1c(NSCCc2nc(C)cs2)nnc1-c1cncc(C)c1
InChIInChI=1S/C22H24N6O2S2/c1-14-10-16(12-23-11-14)21-25-26-22(27-32-9-8-19-24-15(2)13-31-19)28(21)20-17(29-3)6-5-7-18(20)30-4/h5-7,10-13H,8-9H2,1-4H3,(H,26,27)
InChIKeyGBNCSDIGCGIAHD-UHFFFAOYSA-N
XLogP4.72
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,6-dimethoxyphenyl)-N-[2-(5-methoxypyrazin-2-yl)ethylsulfanyl]-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 145191103
4-(2,6-dimethoxyphenyl)-N-[2-(5-methylpyrimidin-2-yl)ethylsulfanyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine;ethane
CID 142359716
N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]methanesulfinamide
CID 163572151
4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[(2S)-1-(5-methylpyrimidin-2-yl)propan-2-yl]sulfanyl-1,2,4-triazol-3-amine
CID 155481724
4-(2,6-dimethoxyphenyl)-N-[1-(3,3-dimethylcyclobutyl)propan-2-ylsulfanyl]-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-amine
CID 145191378
4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[1-(5-methylpyrimidin-2-yl)propan-2-ylsulfanyl]-1,2,4-triazol-3-amine;propane-1,2-diol
CID 145191497
4-(2,6-dimethoxyphenyl)-N-[2-(5-fluoropyrimidin-2-yl)ethylsulfanyl]-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine
CID 142359535
(1S)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)ethanesulfinamide
CID 155481636
N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 122701403
(2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxy-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
CID 122701936
4-(2,6-dimethoxyphenyl)-N-[2-(5-fluoropyrimidin-2-yl)ethylsulfanyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-amine
CID 155197408
(2S)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-ethoxy-2-(5-methylpyrimidin-2-yl)ethanesulfonamide
CID 126560522

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine (CID 145191520) is 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine is COc1cccc(OC)c1-n1c(NSCCc2nc(C)cs2)nnc1-c1cncc(C)c1.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine?
The InChIKey is GBNCSDIGCGIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S2/c1-14-10-16(12-23-11-14)21-25-26-22(27-32-9-8-19-24-15(2)13-31-19)28(21)20-17(29-3)6-5-7-18(20)30-4/h5-7,10-13H,8-9H2,1-4H3,(H,26,27).
What are the key properties of 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine?
4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine has a molecular weight of 468.61 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethylsulfanyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 145191520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).