3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide

C15H16N2O3S — CID 127265721

IUPAC3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)Cc2nccs2)cc1O
InChIInChI=1S/C15H16N2O3S/c1-17(10-14-16-7-8-21-14)15(19)6-4-11-3-5-13(20-2)12(18)9-11/h3-9,18H,10H2,1-2H3
InChIKeyIGDIXJKAMHDTDG-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.53
Rot. Bonds5

About 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide

3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide (PubChem CID 127265721) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
PubChem CID127265721
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)Cc2nccs2)cc1O
InChIInChI=1S/C15H16N2O3S/c1-17(10-14-16-7-8-21-14)15(19)6-4-11-3-5-13(20-2)12(18)9-11/h3-9,18H,10H2,1-2H3
InChIKeyIGDIXJKAMHDTDG-UHFFFAOYSA-N
XLogP2.53
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.53
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

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]prop-2-enamide
CID 137278147
(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-ethoxy-4-methoxyphenyl)-N-methylprop-2-enamide
CID 9392392
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 30798112
2-methoxy-N,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 131946527
3-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856794
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]prop-2-enamide
CID 78794176
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 8960830
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
sodium (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 66849635
(E)-N-benzyl-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 26534654
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide (CID 127265721) is 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide is COc1ccc(C=CC(=O)N(C)Cc2nccs2)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
The InChIKey is IGDIXJKAMHDTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17(10-14-16-7-8-21-14)15(19)6-4-11-3-5-13(20-2)12(18)9-11/h3-9,18H,10H2,1-2H3.
What are the key properties of 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide?
3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide has a molecular weight of 304.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 127265721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).