N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine

C12H21N3OS — CID 65267767

IUPACN-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCC(C)CC2)ns1
InChIInChI=1S/C12H21N3OS/c1-9-3-5-10(6-4-9)11-14-12(17-15-11)13-7-8-16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyFVQLMODXIVBVKB-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.89
Rot. Bonds5

About N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267767) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267767
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C2CCC(C)CC2)ns1
InChIInChI=1S/C12H21N3OS/c1-9-3-5-10(6-4-9)11-14-12(17-15-11)13-7-8-16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyFVQLMODXIVBVKB-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 75442214
1-cyclohexyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 121663586
3-(3,3-difluorocyclopentyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 114216749
3-(2-methoxyethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133370064
3-(methoxymethyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133370070
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267473
N-(2-methoxyethyl)-3-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 65267477
N-(2-methoxyethyl)-3-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267535
3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267645
N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267684
3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267763
3-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267882

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 65267767) is N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C2CCC(C)CC2)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FVQLMODXIVBVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-3-5-10(6-4-9)11-14-12(17-15-11)13-7-8-16-2/h9-10H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).