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

C13H23N3S — CID 65271314

IUPACN-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCCC(C)C2C)n1
InChIInChI=1S/C13H23N3S/c1-8(2)12-15-13(17-16-12)14-11-7-5-6-9(3)10(11)4/h8-11H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyMMOUUJGGCLFTAI-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.90
Rot. Bonds3

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

N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65271314) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65271314
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCCC(C)C2C)n1
InChIInChI=1S/C13H23N3S/c1-8(2)12-15-13(17-16-12)14-11-7-5-6-9(3)10(11)4/h8-11H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyMMOUUJGGCLFTAI-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
N-(3,5-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304995
N-(3,4-dimethylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304996
N-(2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305076

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65271314) is N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC2CCCC(C)C2C)n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is MMOUUJGGCLFTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-8(2)12-15-13(17-16-12)14-11-7-5-6-9(3)10(11)4/h8-11H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2,3-dimethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 253.41 g/mol, XLogP of 3.90, 3 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-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).