N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

C17H16N2O3S2 — CID 2114184

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)Cc3cccs3)n2)c1
InChIInChI=1S/C17H16N2O3S2/c1-21-11-5-6-15(22-2)13(8-11)14-10-24-17(18-14)19-16(20)9-12-4-3-7-23-12/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyQPFGJBCVHUUROR-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.07
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 2114184) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID2114184
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)Cc3cccs3)n2)c1
InChIInChI=1S/C17H16N2O3S2/c1-21-11-5-6-15(22-2)13(8-11)14-10-24-17(18-14)19-16(20)9-12-4-3-7-23-12/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyQPFGJBCVHUUROR-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N'-[4-(3-methoxyphenyl)-2-thiazolyl]-2-thiophenecarbohydrazide
CID 2817112
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 735048
4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 746912
N-({[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino}carbonothioyl)butanamide
CID 802145
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-butyramide
CID 838730
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-propionamide
CID 861949
N-(5-Acetylamino-4-thiophen-2-yl-thiazol-2-yl)-2-methoxy-benzamide
CID 1120959
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenylacetamide
CID 1138502
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2091391

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 2114184) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is COc1ccc(OC)c(-c2csc(NC(=O)Cc3cccs3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is QPFGJBCVHUUROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-21-11-5-6-15(22-2)13(8-11)14-10-24-17(18-14)19-16(20)9-12-4-3-7-23-12/h3-8,10H,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 360.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2114184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).