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

C8H14N4OS — CID 42924877

IUPAC3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCO/N=C(\C)Cc1nsc(NC)n1
InChIInChI=1S/C8H14N4OS/c1-4-13-11-6(2)5-7-10-8(9-3)14-12-7/h4-5H2,1-3H3,(H,9,10,12)/b11-6+
InChIKeyZXUDVLYGNLZPGF-IZZDOVSWSA-N
MW214.29 g/mol
LogP1.53
Rot. Bonds5

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

3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 42924877) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID42924877
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCO/N=C(\C)Cc1nsc(NC)n1
InChIInChI=1S/C8H14N4OS/c1-4-13-11-6(2)5-7-10-8(9-3)14-12-7/h4-5H2,1-3H3,(H,9,10,12)/b11-6+
InChIKeyZXUDVLYGNLZPGF-IZZDOVSWSA-N
XLogP1.53
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.53
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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Related Compounds

3-methyl-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 125535739
3-[(E)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
CID 88903056
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
CID 89309070
3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine
CID 123932344
3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
CID 143798484
ethane;3-[(E)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
CID 144731104
ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
CID 155749046
3-[(2Z)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 27718151
3-[(2E)-2-methoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 42924901
3-(3-methoxypropyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268687
3-(2-methoxyethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268713
N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65269090

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 42924877) is 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine is CCO/N=C(\C)Cc1nsc(NC)n1.
What is the InChIKey of 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZXUDVLYGNLZPGF-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-4-13-11-6(2)5-7-10-8(9-3)14-12-7/h4-5H2,1-3H3,(H,9,10,12)/b11-6+.
What are the key properties of 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine?
3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 214.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-ethoxyiminopropyl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 42924877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).