N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide

C20H16N2O2S3 — CID 7918511

IUPACN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cc1
InChIInChI=1S/C20H16N2O2S3/c1-24-14-8-6-13(7-9-14)12-17(23)21-20-22-18(15-4-2-10-25-15)19(27-20)16-5-3-11-26-16/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyKLTCAHCWYVSNHI-UHFFFAOYSA-N
MW412.56 g/mol
LogP5.79
Rot. Bonds6

About N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide

N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 7918511) has the molecular formula C20H16N2O2S3 and a molecular weight of 412.56 g/mol. Its IUPAC name is N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID7918511
Molecular FormulaC20H16N2O2S3
Molecular Weight412.56 g/mol
Exact Mass412.04
IUPAC NameN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cc1
InChIInChI=1S/C20H16N2O2S3/c1-24-14-8-6-13(7-9-14)12-17(23)21-20-22-18(15-4-2-10-25-15)19(27-20)16-5-3-11-26-16/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyKLTCAHCWYVSNHI-UHFFFAOYSA-N
XLogP5.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
N-(4-methoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 9125297
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2461024
2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226534
cis-(1S,2R)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 2536061
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 7918509
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
CID 7742065
N-(3,5-dimethoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36765569
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8719026

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide (CID 7918511) is N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cc1.
What is the InChIKey of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is KLTCAHCWYVSNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S3/c1-24-14-8-6-13(7-9-14)12-17(23)21-20-22-18(15-4-2-10-25-15)19(27-20)16-5-3-11-26-16/h2-11H,12H2,1H3,(H,21,22,23).
What are the key properties of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 412.56 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7918511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).