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

C18H18N2OS2 — CID 110317283

IUPACN-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccccc1-c1nc(CCNC(=O)Cc2cccs2)cs1
InChIInChI=1S/C18H18N2OS2/c1-13-5-2-3-7-16(13)18-20-14(12-23-18)8-9-19-17(21)11-15-6-4-10-22-15/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyNUQDPKGHEFFRPP-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.08
Rot. Bonds6

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

N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110317283) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID110317283
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC NameN-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccccc1-c1nc(CCNC(=O)Cc2cccs2)cs1
InChIInChI=1S/C18H18N2OS2/c1-13-5-2-3-7-16(13)18-20-14(12-23-18)8-9-19-17(21)11-15-6-4-10-22-15/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyNUQDPKGHEFFRPP-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317395
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 71802085
N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 162654990
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714
N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
3,4-dimethyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7694174
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide (CID 110317283) is N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide is Cc1ccccc1-c1nc(CCNC(=O)Cc2cccs2)cs1.
What is the InChIKey of N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is NUQDPKGHEFFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-13-5-2-3-7-16(13)18-20-14(12-23-18)8-9-19-17(21)11-15-6-4-10-22-15/h2-7,10,12H,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 342.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110317283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).