(E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide

C12H10N2OS — CID 675817

IUPAC(E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nccs1
InChIInChI=1S/C12H10N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,13,14,15)/b7-6+
InChIKeyHKTMXBUQDTYWOK-VOTSOKGWSA-N
MW230.29 g/mol
LogP2.80
Rot. Bonds3

About (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide

(E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 675817) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID675817
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name(E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nccs1
InChIInChI=1S/C12H10N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,13,14,15)/b7-6+
InChIKeyHKTMXBUQDTYWOK-VOTSOKGWSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
LY-73497
CID 3001082
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
Mls000757107
CID 324088
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 692477

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 675817) is (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1nccs1.
What is the InChIKey of (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is HKTMXBUQDTYWOK-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-11(14-12-13-8-9-16-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,13,14,15)/b7-6+.
What are the key properties of (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 230.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 675817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).