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

C9H16N4S — CID 5308115

IUPAC2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
SMILESCN(c1nnc(N)s1)C1CCCCC1
InChIInChI=1S/C9H16N4S/c1-13(7-5-3-2-4-6-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyVBEHGFJVPHWMIR-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.89
Rot. Bonds2

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

2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 5308115) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID5308115
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
SMILESCN(c1nnc(N)s1)C1CCCCC1
InChIInChI=1S/C9H16N4S/c1-13(7-5-3-2-4-6-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyVBEHGFJVPHWMIR-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine (CID 5308115) is 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine is CN(c1nnc(N)s1)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is VBEHGFJVPHWMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-13(7-5-3-2-4-6-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3,(H2,10,11).
What are the key properties of 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine?
2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-2-N-methyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 5308115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).