1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine

C6H11N3OS — CID 131224371

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine
SMILESCCc1nnc(CNOC)s1
InChIInChI=1S/C6H11N3OS/c1-3-5-8-9-6(11-5)4-7-10-2/h7H,3-4H2,1-2H3
InChIKeyVDRLUHSNNXQFMV-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.75
Rot. Bonds4

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine (PubChem CID 131224371) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine
PubChem CID131224371
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine
SMILESCCc1nnc(CNOC)s1
InChIInChI=1S/C6H11N3OS/c1-3-5-8-9-6(11-5)4-7-10-2/h7H,3-4H2,1-2H3
InChIKeyVDRLUHSNNXQFMV-UHFFFAOYSA-N
XLogP0.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
CID 130652451
5-ethyl-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 107647778
5-ethyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865684
N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
CID 3846618
5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 123706975
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 103865673
1-benzyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3,5-dimethylpiperidin-4-amine
CID 91651434
ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
CID 142566157
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
2-methoxy-N-[[5-(2-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 114877363
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 103213337
methyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methoxy]-4-methoxybenzoate
CID 166373177

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine (CID 131224371) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine is CCc1nnc(CNOC)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine?
The InChIKey is VDRLUHSNNXQFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-3-5-8-9-6(11-5)4-7-10-2/h7H,3-4H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine has a molecular weight of 173.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine is sourced from PubChem (CID 131224371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).