2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C15H18N8S2 — CID 41479835

IUPAC2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nnc(SCc3nc(N)nc(N(C)C)n3)s2)c1
InChIInChI=1S/C15H18N8S2/c1-9-5-4-6-10(7-9)17-14-21-22-15(25-14)24-8-11-18-12(16)20-13(19-11)23(2)3/h4-7H,8H2,1-3H3,(H,17,21)(H2,16,18,19,20)
InChIKeyJMXQSUDUQMBICO-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.72
Rot. Bonds6

About 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 41479835) has the molecular formula C15H18N8S2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID41479835
Molecular FormulaC15H18N8S2
Molecular Weight374.50 g/mol
Exact Mass374.11
IUPAC Name2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nnc(SCc3nc(N)nc(N(C)C)n3)s2)c1
InChIInChI=1S/C15H18N8S2/c1-9-5-4-6-10(7-9)17-14-21-22-15(25-14)24-8-11-18-12(16)20-13(19-11)23(2)3/h4-7H,8H2,1-3H3,(H,17,21)(H2,16,18,19,20)
InChIKeyJMXQSUDUQMBICO-UHFFFAOYSA-N
XLogP2.72
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17496145
5-(2-aminoethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 94695298
2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 46670988
6-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 9477587
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557153
4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 7503610
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 133425536
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 34801710
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 39599961
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216821
N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9118504
N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 55570214

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 41479835) is 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nnc(SCc3nc(N)nc(N(C)C)n3)s2)c1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JMXQSUDUQMBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8S2/c1-9-5-4-6-10(7-9)17-14-21-22-15(25-14)24-8-11-18-12(16)20-13(19-11)23(2)3/h4-7H,8H2,1-3H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 374.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 41479835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).