(E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide

C8H9N3OS — CID 131234805

IUPAC(E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/C1CC1)Nc1cnns1
InChIInChI=1S/C8H9N3OS/c12-7(4-3-6-1-2-6)10-8-5-9-11-13-8/h3-6H,1-2H2,(H,10,12)/b4-3+
InChIKeyRYJINIUKAZMFMF-ONEGZZNKSA-N
MW195.25 g/mol
LogP1.44
Rot. Bonds3

About (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide

(E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide (PubChem CID 131234805) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide
PubChem CID131234805
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/C1CC1)Nc1cnns1
InChIInChI=1S/C8H9N3OS/c12-7(4-3-6-1-2-6)10-8-5-9-11-13-8/h3-6H,1-2H2,(H,10,12)/b4-3+
InChIKeyRYJINIUKAZMFMF-ONEGZZNKSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide (CID 131234805) is (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide is O=C(/C=C/C1CC1)Nc1cnns1.
What is the InChIKey of (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide?
The InChIKey is RYJINIUKAZMFMF-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H9N3OS/c12-7(4-3-6-1-2-6)10-8-5-9-11-13-8/h3-6H,1-2H2,(H,10,12)/b4-3+.
What are the key properties of (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide?
(E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide has a molecular weight of 195.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide is sourced from PubChem (CID 131234805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).