2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine

C10H12N4S — CID 5307972

IUPAC2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
SMILESCN(Cc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C10H12N4S/c1-14(10-13-12-9(11)15-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)
InChIKeyCTQCLNBVYPTZLZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.76
Rot. Bonds3

About 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine

2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 5307972) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID5307972
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
SMILESCN(Cc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C10H12N4S/c1-14(10-13-12-9(11)15-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12)
InChIKeyCTQCLNBVYPTZLZ-UHFFFAOYSA-N
XLogP1.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine (CID 5307972) is 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine is CN(Cc1ccccc1)c1nnc(N)s1.
What is the InChIKey of 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is CTQCLNBVYPTZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-14(10-13-12-9(11)15-10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,11,12).
What are the key properties of 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 220.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 5307972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).