3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine

C7H12N4OS — CID 42924901

IUPAC3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C/C(C)=N/OC)ns1
InChIInChI=1S/C7H12N4OS/c1-5(10-12-3)4-6-9-7(8-2)13-11-6/h4H2,1-3H3,(H,8,9,11)/b10-5+
InChIKeyZMOHDRFMNQLORT-BJMVGYQFSA-N
MW200.27 g/mol
LogP1.14
Rot. Bonds4

About 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine

3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 42924901) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID42924901
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(C/C(C)=N/OC)ns1
InChIInChI=1S/C7H12N4OS/c1-5(10-12-3)4-6-9-7(8-2)13-11-6/h4H2,1-3H3,(H,8,9,11)/b10-5+
InChIKeyZMOHDRFMNQLORT-BJMVGYQFSA-N
XLogP1.14
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 42924901) is 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(C/C(C)=N/OC)ns1.
What is the InChIKey of 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZMOHDRFMNQLORT-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-5(10-12-3)4-6-9-7(8-2)13-11-6/h4H2,1-3H3,(H,8,9,11)/b10-5+.
What are the key properties of 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine?
3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 200.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 42924901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).