N-methyl-4-(octoxymethyl)thiadiazol-5-amine

C12H23N3OS — CID 62193245

IUPACN-methyl-4-(octoxymethyl)thiadiazol-5-amine
SMILESCCCCCCCCOCc1nnsc1NC
InChIInChI=1S/C12H23N3OS/c1-3-4-5-6-7-8-9-16-10-11-12(13-2)17-15-14-11/h13H,3-10H2,1-2H3
InChIKeyFVMIPYOAPBUDLB-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.46
Rot. Bonds10

About N-methyl-4-(octoxymethyl)thiadiazol-5-amine

N-methyl-4-(octoxymethyl)thiadiazol-5-amine (PubChem CID 62193245) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-methyl-4-(octoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-(octoxymethyl)thiadiazol-5-amine
PubChem CID62193245
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-methyl-4-(octoxymethyl)thiadiazol-5-amine
SMILESCCCCCCCCOCc1nnsc1NC
InChIInChI=1S/C12H23N3OS/c1-3-4-5-6-7-8-9-16-10-11-12(13-2)17-15-14-11/h13H,3-10H2,1-2H3
InChIKeyFVMIPYOAPBUDLB-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.46
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

4-(2-butoxyethoxymethyl)-N-methylthiadiazol-5-amine
CID 62194288
4-(heptoxymethyl)-N-propylthiadiazol-5-amine
CID 55044886
4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine
CID 55045214
4-(butoxymethyl)-5-chlorothiadiazole
CID 43625662
N-methyl-4-(oxan-2-ylmethoxymethyl)thiadiazol-5-amine
CID 62195509
4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine
CID 64747166
4-(3-methylbutoxymethyl)-N-propylthiadiazol-5-amine
CID 62194969
N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
CID 62183083
1-decoxydecane;hydrochloride
CID 172747457
CID 159860963
CID 159860963
2-[butyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62184428
4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62193700

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(octoxymethyl)thiadiazol-5-amine?
The IUPAC name of N-methyl-4-(octoxymethyl)thiadiazol-5-amine (CID 62193245) is N-methyl-4-(octoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-(octoxymethyl)thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-(octoxymethyl)thiadiazol-5-amine is CCCCCCCCOCc1nnsc1NC.
What is the InChIKey of N-methyl-4-(octoxymethyl)thiadiazol-5-amine?
The InChIKey is FVMIPYOAPBUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-3-4-5-6-7-8-9-16-10-11-12(13-2)17-15-14-11/h13H,3-10H2,1-2H3.
What are the key properties of N-methyl-4-(octoxymethyl)thiadiazol-5-amine?
N-methyl-4-(octoxymethyl)thiadiazol-5-amine has a molecular weight of 257.40 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(octoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62193245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).