5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

C11H20N4S — CID 66279228

IUPAC5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC1CCCC(CCNc2nc(N)ns2)C1
InChIInChI=1S/C11H20N4S/c1-8-3-2-4-9(7-8)5-6-13-11-14-10(12)15-16-11/h8-9H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyHLVNEMYAOWIREU-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.75
Rot. Bonds4

About 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279228) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279228
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC1CCCC(CCNc2nc(N)ns2)C1
InChIInChI=1S/C11H20N4S/c1-8-3-2-4-9(7-8)5-6-13-11-14-10(12)15-16-11/h8-9H,2-7H2,1H3,(H3,12,13,14,15)
InChIKeyHLVNEMYAOWIREU-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylcyclohexyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304975
N-[(3-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114131141
3-N-decyl-5-N,5-N-bis(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
CID 10184346
N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267684
N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267693
N-(1-cyclohexylpropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267694
3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267763
3-methyl-N-[(2-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267868
N-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267972
N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267977
N-ethyl-3-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65268747
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268822

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine (CID 66279228) is 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine is CC1CCCC(CCNc2nc(N)ns2)C1.
What is the InChIKey of 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is HLVNEMYAOWIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8-3-2-4-9(7-8)5-6-13-11-14-10(12)15-16-11/h8-9H,2-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).