N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine

C8H8N4S — CID 21152361

IUPACN-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine
SMILESC1=CC/C(=N\Nc2nncs2)C=C1
InChIInChI=1S/C8H8N4S/c1-2-4-7(5-3-1)10-12-8-11-9-6-13-8/h1-4,6H,5H2,(H,11,12)/b10-7-
InChIKeyXLMUFGVDMQPPSI-YFHOEESVSA-N
MW192.25 g/mol
LogP1.82
Rot. Bonds2

About N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine

N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine (PubChem CID 21152361) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine
PubChem CID21152361
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC NameN-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine
SMILESC1=CC/C(=N\Nc2nncs2)C=C1
InChIInChI=1S/C8H8N4S/c1-2-4-7(5-3-1)10-12-8-11-9-6-13-8/h1-4,6H,5H2,(H,11,12)/b10-7-
InChIKeyXLMUFGVDMQPPSI-YFHOEESVSA-N
XLogP1.82
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine (CID 21152361) is N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine is C1=CC/C(=N\Nc2nncs2)C=C1.
What is the InChIKey of N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine?
The InChIKey is XLMUFGVDMQPPSI-YFHOEESVSA-N. The full InChI is InChI=1S/C8H8N4S/c1-2-4-7(5-3-1)10-12-8-11-9-6-13-8/h1-4,6H,5H2,(H,11,12)/b10-7-.
What are the key properties of N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine?
N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine has a molecular weight of 192.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclohexa-2,4-dien-1-ylideneamino]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 21152361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).