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

C17H16N2OS2 — CID 17249186

IUPACN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nc(NC(=O)Cc3cccs3)sc2C)cc1
InChIInChI=1S/C17H16N2OS2/c1-11-5-7-13(8-6-11)16-12(2)22-17(19-16)18-15(20)10-14-4-3-9-21-14/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyXHOFJGPCGFXUNE-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.67
Rot. Bonds4

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

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 17249186) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID17249186
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2nc(NC(=O)Cc3cccs3)sc2C)cc1
InChIInChI=1S/C17H16N2OS2/c1-11-5-7-13(8-6-11)16-12(2)22-17(19-16)18-15(20)10-14-4-3-9-21-14/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyXHOFJGPCGFXUNE-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012645
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 9123698
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110642555
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide
CID 44919364
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 17249186) is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is Cc1ccc(-c2nc(NC(=O)Cc3cccs3)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is XHOFJGPCGFXUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-11-5-7-13(8-6-11)16-12(2)22-17(19-16)18-15(20)10-14-4-3-9-21-14/h3-9H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 328.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 17249186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).