5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

C23H32N8S — CID 90819215

IUPAC5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
SMILESCCCN1CCN(c2nc(C)nc(Nc3ncc(CNc4c(C)cccc4C)s3)n2)CC1
InChIInChI=1S/C23H32N8S/c1-5-9-30-10-12-31(13-11-30)22-27-18(4)26-21(28-22)29-23-25-15-19(32-23)14-24-20-16(2)7-6-8-17(20)3/h6-8,15,24H,5,9-14H2,1-4H3,(H,25,26,27,28,29)
InChIKeyBXCFSGTXJJISOZ-UHFFFAOYSA-N
MW452.63 g/mol
LogP4.14
Rot. Bonds8

About 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 90819215) has the molecular formula C23H32N8S and a molecular weight of 452.63 g/mol. Its IUPAC name is 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
PubChem CID90819215
Molecular FormulaC23H32N8S
Molecular Weight452.63 g/mol
Exact Mass452.25
IUPAC Name5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
SMILESCCCN1CCN(c2nc(C)nc(Nc3ncc(CNc4c(C)cccc4C)s3)n2)CC1
InChIInChI=1S/C23H32N8S/c1-5-9-30-10-12-31(13-11-30)22-27-18(4)26-21(28-22)29-23-25-15-19(32-23)14-24-20-16(2)7-6-8-17(20)3/h6-8,15,24H,5,9-14H2,1-4H3,(H,25,26,27,28,29)
InChIKeyBXCFSGTXJJISOZ-UHFFFAOYSA-N
XLogP4.14
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.63
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
CID 90800051
4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-2-one
CID 91272996
N-(2-chloro-6-methylphenyl)-2-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 59600508
2-(2-chloro-6-methylphenyl)-1-[2-[[4-methyl-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 147925408
2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600406
2-[[4,6-bis[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 59600397
2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600478
2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600532
2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600529
N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 59600466
2-[4-[4-methyl-6-[[5-[(2,4,6-trimethylanilino)methyl]-1,3-oxazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 91341896
N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 25030174

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (CID 90819215) is 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is CCCN1CCN(c2nc(C)nc(Nc3ncc(CNc4c(C)cccc4C)s3)n2)CC1.
What is the InChIKey of 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is BXCFSGTXJJISOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8S/c1-5-9-30-10-12-31(13-11-30)22-27-18(4)26-21(28-22)29-23-25-15-19(32-23)14-24-20-16(2)7-6-8-17(20)3/h6-8,15,24H,5,9-14H2,1-4H3,(H,25,26,27,28,29).
What are the key properties of 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 452.63 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90819215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).