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

C9H13N7S3 — CID 46670988

IUPAC2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCSc1nnc(SCc2nc(N)nc(N(C)C)n2)s1
InChIInChI=1S/C9H13N7S3/c1-16(2)7-12-5(11-6(10)13-7)4-18-9-15-14-8(17-3)19-9/h4H2,1-3H3,(H2,10,11,12,13)
InChIKeyUUJXUAVBKMMJBP-UHFFFAOYSA-N
MW315.45 g/mol
LogP1.39
Rot. Bonds5

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

2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 46670988) has the molecular formula C9H13N7S3 and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID46670988
Molecular FormulaC9H13N7S3
Molecular Weight315.45 g/mol
Exact Mass315.04
IUPAC Name2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCSc1nnc(SCc2nc(N)nc(N(C)C)n2)s1
InChIInChI=1S/C9H13N7S3/c1-16(2)7-12-5(11-6(10)13-7)4-18-9-15-14-8(17-3)19-9/h4H2,1-3H3,(H2,10,11,12,13)
InChIKeyUUJXUAVBKMMJBP-UHFFFAOYSA-N
XLogP1.39
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-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

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
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
2-N-(4-fluorophenyl)-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 55443603
6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 41477279
6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 42584388
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
CID 115383644
6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 43299776
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol
CID 66114761
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47449133
6-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8911520
6-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17455451
6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 66227987

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(5-methylsulfanyl-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-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 46670988) is 2-N,2-N-dimethyl-6-[(5-methylsulfanyl-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-methylsulfanyl-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-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is CSc1nnc(SCc2nc(N)nc(N(C)C)n2)s1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UUJXUAVBKMMJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S3/c1-16(2)7-12-5(11-6(10)13-7)4-18-9-15-14-8(17-3)19-9/h4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 315.45 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 46670988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).