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

C11H19N3S — CID 65267443

IUPACN-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCCC(C)C2C)n1
InChIInChI=1S/C11H19N3S/c1-7-5-4-6-10(8(7)2)13-11-12-9(3)14-15-11/h7-8,10H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyCXJARUWVHKLNJD-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.08
Rot. Bonds2

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

N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267443) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267443
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCCC(C)C2C)n1
InChIInChI=1S/C11H19N3S/c1-7-5-4-6-10(8(7)2)13-11-12-9(3)14-15-11/h7-8,10H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyCXJARUWVHKLNJD-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
CID 12725102
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-(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
N-(4-propylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304851
N-[(2-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304864
N-(1-cyclohexylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304910
N-(2,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304970

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267443) is N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCCC(C)C2C)n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CXJARUWVHKLNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7-5-4-6-10(8(7)2)13-11-12-9(3)14-15-11/h7-8,10H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 225.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).