2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C15H16N6S2 — CID 8025742

IUPAC2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(CSc3nc(C)cs3)n2)cc1
InChIInChI=1S/C15H16N6S2/c1-9-3-5-11(6-4-9)18-14-20-12(19-13(16)21-14)8-23-15-17-10(2)7-22-15/h3-7H,8H2,1-2H3,(H3,16,18,19,20,21)
InChIKeyUGNNDCLQAVDVSR-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.56
Rot. Bonds5

About 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 8025742) has the molecular formula C15H16N6S2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID8025742
Molecular FormulaC15H16N6S2
Molecular Weight344.47 g/mol
Exact Mass344.09
IUPAC Name2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(CSc3nc(C)cs3)n2)cc1
InChIInChI=1S/C15H16N6S2/c1-9-3-5-11(6-4-9)18-14-20-12(19-13(16)21-14)8-23-15-17-10(2)7-22-15/h3-7H,8H2,1-2H3,(H3,16,18,19,20,21)
InChIKeyUGNNDCLQAVDVSR-UHFFFAOYSA-N
XLogP3.56
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
2-N-(4-fluorophenyl)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 55443603
2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetohydrazide
CID 156597893
6-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 7631405
6-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 7631440
2-N-(4-fluorophenyl)-6-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 35502155
2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 8970959
2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 940705
6-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 7633368
6-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 27238315
2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 8970967
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxyacetate
CID 7631048

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 8025742) is 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(N)nc(CSc3nc(C)cs3)n2)cc1.
What is the InChIKey of 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UGNNDCLQAVDVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S2/c1-9-3-5-11(6-4-9)18-14-20-12(19-13(16)21-14)8-23-15-17-10(2)7-22-15/h3-7H,8H2,1-2H3,(H3,16,18,19,20,21).
What are the key properties of 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 344.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 8025742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).