3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine

C12H18F3N3OS — CID 133370064

IUPAC3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H18F3N3OS/c1-19-6-5-10-17-11(20-18-10)16-9-4-2-3-8(7-9)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17,18)
InChIKeyQXLKHIZHGWTPSQ-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.26
Rot. Bonds5

About 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133370064) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
PubChem CID133370064
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H18F3N3OS/c1-19-6-5-10-17-11(20-18-10)16-9-4-2-3-8(7-9)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17,18)
InChIKeyQXLKHIZHGWTPSQ-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(1-cyclohexylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304910
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-(2,2-diethyloxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305086
N-(4-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305205
N-(3-methylcyclohexyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943920

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine (CID 133370064) is 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(NC2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is QXLKHIZHGWTPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-19-6-5-10-17-11(20-18-10)16-9-4-2-3-8(7-9)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 309.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133370064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).