2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C21H20N6O3S — CID 23536645

IUPAC2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3nc(-c4ccccc4)cs3)n2)cc(OC)c1OC
InChIInChI=1S/C21H20N6O3S/c1-28-16-9-14(10-17(29-2)18(16)30-3)24-19-22-12-23-20(26-19)27-21-25-15(11-31-21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyMUEPJCDZXOOINR-UHFFFAOYSA-N
MW436.50 g/mol
LogP4.51
Rot. Bonds8

About 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536645) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536645
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(Nc3nc(-c4ccccc4)cs3)n2)cc(OC)c1OC
InChIInChI=1S/C21H20N6O3S/c1-28-16-9-14(10-17(29-2)18(16)30-3)24-19-22-12-23-20(26-19)27-21-25-15(11-31-21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyMUEPJCDZXOOINR-UHFFFAOYSA-N
XLogP4.51
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine 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-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
4-(3-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535998
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536686
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
4-chloro-6-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536108

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536645) is 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2ncnc(Nc3nc(-c4ccccc4)cs3)n2)cc(OC)c1OC.
What is the InChIKey of 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MUEPJCDZXOOINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-28-16-9-14(10-17(29-2)18(16)30-3)24-19-22-12-23-20(26-19)27-21-25-15(11-31-21)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,22,23,24,25,26,27).
What are the key properties of 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 436.50 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).