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

C11H17N7S2 — CID 80885268

IUPAC2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2nnc(C)s2)nc(N(C)C)n1
InChIInChI=1S/C11H17N7S2/c1-5-6-12-8-13-9(18(3)4)15-10(14-8)20-11-17-16-7(2)19-11/h5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyMCNHHRWJQQVPLU-UHFFFAOYSA-N
MW311.44 g/mol
LogP2.07
Rot. Bonds6

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

2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80885268) has the molecular formula C11H17N7S2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80885268
Molecular FormulaC11H17N7S2
Molecular Weight311.44 g/mol
Exact Mass311.10
IUPAC Name2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2nnc(C)s2)nc(N(C)C)n1
InChIInChI=1S/C11H17N7S2/c1-5-6-12-8-13-9(18(3)4)15-10(14-8)20-11-17-16-7(2)19-11/h5-6H2,1-4H3,(H,12,13,14,15)
InChIKeyMCNHHRWJQQVPLU-UHFFFAOYSA-N
XLogP2.07
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.07
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)sulfanyl]-4-N-propyl-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)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80885268) is 2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-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)sulfanyl]-4-N-propyl-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)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Sc2nnc(C)s2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MCNHHRWJQQVPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S2/c1-5-6-12-8-13-9(18(3)4)15-10(14-8)20-11-17-16-7(2)19-11/h5-6H2,1-4H3,(H,12,13,14,15).
What are the key properties of 2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 311.44 g/mol, XLogP of 2.07, 6 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)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80885268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).