(2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide

C8H9N3OS — CID 122358747

IUPAC(2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1nncs1
InChIInChI=1S/C8H9N3OS/c1-2-3-4-5-7(12)10-8-11-9-6-13-8/h2-6H,1H3,(H,10,11,12)/b3-2+,5-4+
InChIKeyOICHJQGTORJHKD-MQQKCMAXSA-N
MW195.25 g/mol
LogP1.61
Rot. Bonds3

About (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide

(2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide (PubChem CID 122358747) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide
PubChem CID122358747
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1nncs1
InChIInChI=1S/C8H9N3OS/c1-2-3-4-5-7(12)10-8-11-9-6-13-8/h2-6H,1H3,(H,10,11,12)/b3-2+,5-4+
InChIKeyOICHJQGTORJHKD-MQQKCMAXSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 4621052
N-(4-ethyl-1,3-thiazol-2-yl)hexa-2,4-dienamide
CID 72687719
3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 732155
(E)-3-(4-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 6289125
3-(4-bromophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 887856
3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 71870762
2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 3453475
(2E,4E)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide
CID 18282914
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
CID 47143172
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide (CID 122358747) is (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1nncs1.
What is the InChIKey of (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide?
The InChIKey is OICHJQGTORJHKD-MQQKCMAXSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-2-3-4-5-7(12)10-8-11-9-6-13-8/h2-6H,1H3,(H,10,11,12)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide?
(2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide has a molecular weight of 195.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 122358747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).