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

C12H22N4S — CID 65270948

IUPACN'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCN(CCCNc1ncns1)C1CCCCC1
InChIInChI=1S/C12H22N4S/c1-16(11-6-3-2-4-7-11)9-5-8-13-12-14-10-15-17-12/h10-11H,2-9H2,1H3,(H,13,14,15)
InChIKeyMRFOHOKAAMUYNH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.60
Rot. Bonds6

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

N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270948) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270948
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCN(CCCNc1ncns1)C1CCCCC1
InChIInChI=1S/C12H22N4S/c1-16(11-6-3-2-4-7-11)9-5-8-13-12-14-10-15-17-12/h10-11H,2-9H2,1H3,(H,13,14,15)
InChIKeyMRFOHOKAAMUYNH-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.60
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

N-piperidin-4-yl-1,2,4-thiadiazol-5-amine
CID 65276253
5-N-cyclohexyl-1,2,4-thiadiazole-3,5-diamine
CID 66279204
N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
CID 131198079
3-piperidin-1-yl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269164
5-(4-aminopiperidin-1-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 89542793
5-N-cyclohexyl-3-N-decyl-5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 10133531
N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65267919
3-(azepan-1-yl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268711
3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 65270086
N'-propyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270335
3-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
CID 65270343
N'-propan-2-yl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270391

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270948) is N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CN(CCCNc1ncns1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is MRFOHOKAAMUYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-16(11-6-3-2-4-7-11)9-5-8-13-12-14-10-15-17-12/h10-11H,2-9H2,1H3,(H,13,14,15).
What are the key properties of N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.60, 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-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).