(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide

C19H22N2O2S — CID 95975009

IUPAC(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cs1
InChIInChI=1S/C19H22N2O2S/c1-15-20-17(14-24-15)7-8-19(22)21(18-10-12-23-13-18)11-9-16-5-3-2-4-6-16/h2-8,14,18H,9-13H2,1H3/b8-7+/t18-/m1/s1
InChIKeyIYXGPIJPSQAMNY-LKGOPFMKSA-N
MW342.46 g/mol
LogP3.32
Rot. Bonds6

About (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide

(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 95975009) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID95975009
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide
SMILESCc1nc(/C=C/C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cs1
InChIInChI=1S/C19H22N2O2S/c1-15-20-17(14-24-15)7-8-19(22)21(18-10-12-23-13-18)11-9-16-5-3-2-4-6-16/h2-8,14,18H,9-13H2,1H3/b8-7+/t18-/m1/s1
InChIKeyIYXGPIJPSQAMNY-LKGOPFMKSA-N
XLogP3.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 97015367
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 51306995
3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide
CID 120611849
4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024406
3-amino-N-(oxolan-3-yl)-N-(2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119820576
2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
CID 71923006
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78836517
(E)-N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 95301448
(E)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]prop-2-enamide
CID 95618524
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 43055213
3-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-propan-2-ylamino]propanoic acid
CID 60830572
N-ethyl-2-[oxolan-3-yl(2-phenylethyl)amino]acetamide
CID 71859131

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide (CID 95975009) is (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide is Cc1nc(/C=C/C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)cs1.
What is the InChIKey of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is IYXGPIJPSQAMNY-LKGOPFMKSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15-20-17(14-24-15)7-8-19(22)21(18-10-12-23-13-18)11-9-16-5-3-2-4-6-16/h2-8,14,18H,9-13H2,1H3/b8-7+/t18-/m1/s1.
What are the key properties of (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 342.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 95975009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).