N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C11H19N3S — CID 65267684

IUPACN-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCC2CCCCC2)n1
InChIInChI=1S/C11H19N3S/c1-9-13-11(15-14-9)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,12,13,14)
InChIKeySOHAMCNXMFCPBN-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.23
Rot. Bonds4

About N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267684) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267684
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCC2CCCCC2)n1
InChIInChI=1S/C11H19N3S/c1-9-13-11(15-14-9)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,12,13,14)
InChIKeySOHAMCNXMFCPBN-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 91644106
N-[4-[(tert-butylsulfanylamino)methyl]cyclohexyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 89986770
N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 12725102
N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106012675
N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106128078
N-(2,3-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304679
N-(2-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304681
N-(cyclohexylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304706
N-(2-cyclohexylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304747
N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304760
N-(2-ethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304827
N-(4-ethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304828

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267684) is N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCC2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SOHAMCNXMFCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-13-11(15-14-9)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 225.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).