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

C15H23N3O2S — CID 95337196

IUPAC(E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1cscn1
InChIInChI=1S/C15H23N3O2S/c1-17(2)7-8-18(10-14-4-3-9-20-14)15(19)6-5-13-11-21-12-16-13/h5-6,11-12,14H,3-4,7-10H2,1-2H3/b6-5+/t14-/m1/s1
InChIKeyIDMTYCXEFLKOAF-VBROQKIQSA-N
MW309.43 g/mol
LogP1.73
Rot. Bonds7

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

(E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 95337196) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
PubChem CID95337196
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name(E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1cscn1
InChIInChI=1S/C15H23N3O2S/c1-17(2)7-8-18(10-14-4-3-9-20-14)15(19)6-5-13-11-21-12-16-13/h5-6,11-12,14H,3-4,7-10H2,1-2H3/b6-5+/t14-/m1/s1
InChIKeyIDMTYCXEFLKOAF-VBROQKIQSA-N
XLogP1.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 95301448
N-[2-(dimethylamino)ethyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97434846
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352945
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
methyl 2-[methyl-[3-(1,3-thiazol-4-yl)prop-2-enoyl]amino]acetate
CID 174410382
N-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55218707
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96574907
3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352018
3-(2-tert-butylpyrimidin-5-yl)-1-[2-(dimethylamino)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95353157
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide (CID 95337196) is (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide is CN(C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1cscn1.
What is the InChIKey of (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is IDMTYCXEFLKOAF-VBROQKIQSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17(2)7-8-18(10-14-4-3-9-20-14)15(19)6-5-13-11-21-12-16-13/h5-6,11-12,14H,3-4,7-10H2,1-2H3/b6-5+/t14-/m1/s1.
What are the key properties of (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide?
(E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 309.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 95337196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).