(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide

C14H16N2OS — CID 50910523

IUPAC(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-11-3-5-12(6-4-11)7-8-13(17)16-14-15-9-10-18-14/h3-8H,2,9-10H2,1H3,(H,15,16,17)/b8-7+
InChIKeyMTLJBAFNMHPGBV-BQYQJAHWSA-N
MW260.36 g/mol
LogP2.48
Rot. Bonds3

About (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide

(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 50910523) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide
PubChem CID50910523
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-11-3-5-12(6-4-11)7-8-13(17)16-14-15-9-10-18-14/h3-8H,2,9-10H2,1H3,(H,15,16,17)/b8-7+
InChIKeyMTLJBAFNMHPGBV-BQYQJAHWSA-N
XLogP2.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.48
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

2-(Benzylsulfanyl)pyrimidin-4-ol
CID 241186
6-Amino-2-[(4-tert-butylbenzyl)sulfanyl]-4-pyrimidinol
CID 135426471
3-(4-tert-butylphenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acrylamide
CID 903944
5-(4-ethylbenzylidene)-2-(1-pyrrolidinyl)-1,3-thiazol-4(5H)-one
CID 701606
2-(cinnamylthio)-6-ethylpyrimidin-4(3H)-one
CID 135561498
6-ethyl-2-(phenethylthio)pyrimidin-4(3H)-one
CID 135561607
2-{[(E)-2-phenylvinyl]thio}pyrimidin-4(3H)-one
CID 746485
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methylphenyl)acrylamide
CID 897475
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-isopropylphenyl)acrylamide
CID 5416418
Cvf-csc-50
CID 49843106
2-[(4-ethylphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
CID 127044463
2-[(2-phenylethyl)thio]-4(3H)-pyrimidinone
CID 1177403

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide (CID 50910523) is (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(/C=C/C(=O)NC2=NCCS2)cc1.
What is the InChIKey of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is MTLJBAFNMHPGBV-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-11-3-5-12(6-4-11)7-8-13(17)16-14-15-9-10-18-14/h3-8H,2,9-10H2,1H3,(H,15,16,17)/b8-7+.
What are the key properties of (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide?
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 260.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 50910523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).