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

C12H21N3OS2 — CID 65268238

IUPAC3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CSC2CCCCC2)ns1
InChIInChI=1S/C12H21N3OS2/c1-16-8-7-13-12-14-11(15-18-12)9-17-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyLBGKXPBOEMWKOG-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.16
Rot. Bonds7

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

3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268238) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268238
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC Name3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(CSC2CCCCC2)ns1
InChIInChI=1S/C12H21N3OS2/c1-16-8-7-13-12-14-11(15-18-12)9-17-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyLBGKXPBOEMWKOG-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267941
3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267890
N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267475
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83039936
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268124
N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 65334797
3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 116782401
3-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 113383643
N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267650

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65268238) is 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(CSC2CCCCC2)ns1.
What is the InChIKey of 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LBGKXPBOEMWKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS2/c1-16-8-7-13-12-14-11(15-18-12)9-17-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,13,14,15).
What are the key properties of 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 287.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).