(E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide

C10H8N4OS — CID 19114266

IUPAC(E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnns1
InChIInChI=1S/C10H8N4OS/c15-9(11-10-12-13-14-16-10)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12,14,15)/b7-6+
InChIKeyMCBMEZGRSDPRES-VOTSOKGWSA-N
MW232.27 g/mol
LogP1.59
Rot. Bonds3

About (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide

(E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide (PubChem CID 19114266) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide
PubChem CID19114266
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name(E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnns1
InChIInChI=1S/C10H8N4OS/c15-9(11-10-12-13-14-16-10)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12,14,15)/b7-6+
InChIKeyMCBMEZGRSDPRES-VOTSOKGWSA-N
XLogP1.59
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 732155
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 4032813
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 744044
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 510289
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 6163871
(E)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide;hydrochloride
CID 175653157
(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 879449
N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 509844
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 24632450
3-phenyl-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 509950
4-methyl-2-(3-phenylprop-2-enoylamino)-1,3-thiazole-5-carboxylic acid
CID 78414592

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide (CID 19114266) is (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1nnns1.
What is the InChIKey of (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide?
The InChIKey is MCBMEZGRSDPRES-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H8N4OS/c15-9(11-10-12-13-14-16-10)7-6-8-4-2-1-3-5-8/h1-7H,(H,11,12,14,15)/b7-6+.
What are the key properties of (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide?
(E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide has a molecular weight of 232.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(thiatriazol-5-yl)prop-2-enamide is sourced from PubChem (CID 19114266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).