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

C16H14N2O2S2 — CID 8002261

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)14-10-22-16(17-14)18-15(19)9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyAGMDKIRGPHAMQJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.06
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 8002261) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID8002261
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1
InChIInChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)14-10-22-16(17-14)18-15(19)9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyAGMDKIRGPHAMQJ-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 30515195
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-thiophen-2-ylacetate
CID 23791449
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502649
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] nitrate
CID 155808446
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 8002261) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is COc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is AGMDKIRGPHAMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-20-12-6-4-11(5-7-12)14-10-22-16(17-14)18-15(19)9-13-3-2-8-21-13/h2-8,10H,9H2,1H3,(H,17,18,19).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 330.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 8002261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).