2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C18H18N2O3S2 — CID 2738559

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2csc(-c3cccs3)n2)cc1OC
InChIInChI=1S/C18H18N2O3S2/c1-22-14-6-5-12(8-15(14)23-2)9-17(21)19-10-13-11-25-18(20-13)16-4-3-7-24-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeySILRHAPWSZRDPQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.75
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 2738559) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID2738559
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2csc(-c3cccs3)n2)cc1OC
InChIInChI=1S/C18H18N2O3S2/c1-22-14-6-5-12(8-15(14)23-2)9-17(21)19-10-13-11-25-18(20-13)16-4-3-7-24-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeySILRHAPWSZRDPQ-UHFFFAOYSA-N
XLogP3.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 2738559) is 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2csc(-c3cccs3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is SILRHAPWSZRDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-22-14-6-5-12(8-15(14)23-2)9-17(21)19-10-13-11-25-18(20-13)16-4-3-7-24-16/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 2738559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).