2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine

C13H22N8S2 — CID 51280065

IUPAC2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)CNc1nnc(SC(C)c2nc(N)nc(N(C)C)n2)s1
InChIInChI=1S/C13H22N8S2/c1-7(2)6-15-12-19-20-13(23-12)22-8(3)9-16-10(14)18-11(17-9)21(4)5/h7-8H,6H2,1-5H3,(H,15,19)(H2,14,16,17,18)
InChIKeyGCLQWZIBDNRHGV-UHFFFAOYSA-N
MW354.51 g/mol
LogP2.29
Rot. Bonds7

About 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 51280065) has the molecular formula C13H22N8S2 and a molecular weight of 354.51 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID51280065
Molecular FormulaC13H22N8S2
Molecular Weight354.51 g/mol
Exact Mass354.14
IUPAC Name2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)CNc1nnc(SC(C)c2nc(N)nc(N(C)C)n2)s1
InChIInChI=1S/C13H22N8S2/c1-7(2)6-15-12-19-20-13(23-12)22-8(3)9-16-10(14)18-11(17-9)21(4)5/h7-8H,6H2,1-5H3,(H,15,19)(H2,14,16,17,18)
InChIKeyGCLQWZIBDNRHGV-UHFFFAOYSA-N
XLogP2.29
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine (CID 51280065) is 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine is CC(C)CNc1nnc(SC(C)c2nc(N)nc(N(C)C)n2)s1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GCLQWZIBDNRHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8S2/c1-7(2)6-15-12-19-20-13(23-12)22-8(3)9-16-10(14)18-11(17-9)21(4)5/h7-8H,6H2,1-5H3,(H,15,19)(H2,14,16,17,18).
What are the key properties of 2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 354.51 g/mol, XLogP of 2.29, 7 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-[1-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 51280065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).