N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine

C4H7N3OS — CID 22899275

IUPACN-methoxy-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCONc1nnc(C)s1
InChIInChI=1S/C4H7N3OS/c1-3-5-6-4(9-3)7-8-2/h1-2H3,(H,6,7)
InChIKeyBZOXLKPOLIDESX-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.82
Rot. Bonds2

About N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine

N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 22899275) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methoxy-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID22899275
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC NameN-methoxy-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCONc1nnc(C)s1
InChIInChI=1S/C4H7N3OS/c1-3-5-6-4(9-3)7-8-2/h1-2H3,(H,6,7)
InChIKeyBZOXLKPOLIDESX-UHFFFAOYSA-N
XLogP0.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine (CID 22899275) is N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine is CONc1nnc(C)s1.
What is the InChIKey of N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BZOXLKPOLIDESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-3-5-6-4(9-3)7-8-2/h1-2H3,(H,6,7).
What are the key properties of N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine?
N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 145.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 22899275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).