N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine

C9H17N3O2S — CID 80608408

IUPACN-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(COCCOC(C)C)s1
InChIInChI=1S/C9H17N3O2S/c1-7(2)14-5-4-13-6-8-11-12-9(10-3)15-8/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyBJCLYUMNBCGGES-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.52
Rot. Bonds7

About N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine

N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80608408) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80608408
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(COCCOC(C)C)s1
InChIInChI=1S/C9H17N3O2S/c1-7(2)14-5-4-13-6-8-11-12-9(10-3)15-8/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyBJCLYUMNBCGGES-UHFFFAOYSA-N
XLogP1.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.52
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

5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607854
5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607754
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558120
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81073772
N-ethyl-5-(octoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608322
[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614521
N-methyl-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80607941
5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 107871071
5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607952
N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 102985140
2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
CID 104554429

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80608408) is N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine is CNc1nnc(COCCOC(C)C)s1.
What is the InChIKey of N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BJCLYUMNBCGGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7(2)14-5-4-13-6-8-11-12-9(10-3)15-8/h7H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 231.32 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).