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

C9H13N7S2 — CID 17457580

IUPAC2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nnc(SCc2nc(N)nc(N(C)C)n2)s1
InChIInChI=1S/C9H13N7S2/c1-5-14-15-9(18-5)17-4-6-11-7(10)13-8(12-6)16(2)3/h4H2,1-3H3,(H2,10,11,12,13)
InChIKeyHNYYEZUDMZTVLB-UHFFFAOYSA-N
MW283.39 g/mol
LogP0.97
Rot. Bonds4

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

2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17457580) has the molecular formula C9H13N7S2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID17457580
Molecular FormulaC9H13N7S2
Molecular Weight283.39 g/mol
Exact Mass283.07
IUPAC Name2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nnc(SCc2nc(N)nc(N(C)C)n2)s1
InChIInChI=1S/C9H13N7S2/c1-5-14-15-9(18-5)17-4-6-11-7(10)13-8(12-6)16(2)3/h4H2,1-3H3,(H2,10,11,12,13)
InChIKeyHNYYEZUDMZTVLB-UHFFFAOYSA-N
XLogP0.97
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 17457580) is 2-N,2-N-dimethyl-6-[(5-methyl-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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Cc1nnc(SCc2nc(N)nc(N(C)C)n2)s1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HNYYEZUDMZTVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S2/c1-5-14-15-9(18-5)17-4-6-11-7(10)13-8(12-6)16(2)3/h4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 283.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17457580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).