N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C13H24N4S — CID 65267919

IUPACN'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(NCCCN(C)C2CCCCC2)n1
InChIInChI=1S/C13H24N4S/c1-11-15-13(18-16-11)14-9-6-10-17(2)12-7-4-3-5-8-12/h12H,3-10H2,1-2H3,(H,14,15,16)
InChIKeyZLEKXFDZMOCVNN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.91
Rot. Bonds6

About N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65267919) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65267919
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(NCCCN(C)C2CCCCC2)n1
InChIInChI=1S/C13H24N4S/c1-11-15-13(18-16-11)14-9-6-10-17(2)12-7-4-3-5-8-12/h12H,3-10H2,1-2H3,(H,14,15,16)
InChIKeyZLEKXFDZMOCVNN-UHFFFAOYSA-N
XLogP2.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
3-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-thiadiazol-5-amine
CID 71996531
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 75356316
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 12725102
N'-cyclohexyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304465
4-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclohexane-1,4-diamine
CID 107304579

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65267919) is N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is Cc1nsc(NCCCN(C)C2CCCCC2)n1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is ZLEKXFDZMOCVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-11-15-13(18-16-11)14-9-6-10-17(2)12-7-4-3-5-8-12/h12H,3-10H2,1-2H3,(H,14,15,16).
What are the key properties of N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65267919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).