N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C17H18N2O5S — CID 159971524

IUPACN-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(C=CC(=O)c2sc(NC(C)=O)nc2C)cc(OC)c1O
InChIInChI=1S/C17H18N2O5S/c1-9-16(25-17(18-9)19-10(2)20)12(21)6-5-11-7-13(23-3)15(22)14(8-11)24-4/h5-8,22H,1-4H3,(H,18,19,20)
InChIKeyOEPKUDLSNBRIDI-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.03
Rot. Bonds6

About N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 159971524) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID159971524
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1cc(C=CC(=O)c2sc(NC(C)=O)nc2C)cc(OC)c1O
InChIInChI=1S/C17H18N2O5S/c1-9-16(25-17(18-9)19-10(2)20)12(21)6-5-11-7-13(23-3)15(22)14(8-11)24-4/h5-8,22H,1-4H3,(H,18,19,20)
InChIKeyOEPKUDLSNBRIDI-UHFFFAOYSA-N
XLogP3.03
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 159971524) is N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is COc1cc(C=CC(=O)c2sc(NC(C)=O)nc2C)cc(OC)c1O.
What is the InChIKey of N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is OEPKUDLSNBRIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-9-16(25-17(18-9)19-10(2)20)12(21)6-5-11-7-13(23-3)15(22)14(8-11)24-4/h5-8,22H,1-4H3,(H,18,19,20).
What are the key properties of N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 362.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 159971524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).