3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

C11H9N3OS — CID 732155

IUPAC3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1nncs1
InChIInChI=1S/C11H9N3OS/c15-10(13-11-14-12-8-16-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,13,14,15)
InChIKeyPORLVXMAXNYUJD-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.19
Rot. Bonds3

About 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 732155) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID732155
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1nncs1
InChIInChI=1S/C11H9N3OS/c15-10(13-11-14-12-8-16-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,13,14,15)
InChIKeyPORLVXMAXNYUJD-UHFFFAOYSA-N
XLogP2.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.19
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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Related Compounds

(E)-3-(4-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 6289125
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 4621052
3-(4-bromophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 887856
(E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide
CID 19114266
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 24632450
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 4032813
(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 879449
3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 71870762
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 510289
(E)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 744044
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 6163871

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 732155) is 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is O=C(C=Cc1ccccc1)Nc1nncs1.
What is the InChIKey of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is PORLVXMAXNYUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-10(13-11-14-12-8-16-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,13,14,15).
What are the key properties of 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 231.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 732155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).