N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C22H21N3O2S3 — CID 16600867

IUPACN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2nc(-c3cc(C)sc3C)cs2)cs1
InChIInChI=1S/C22H21N3O2S3/c1-4-27-19-8-6-5-7-16(19)21-23-15(11-28-21)10-20(26)25-22-24-18(12-29-22)17-9-13(2)30-14(17)3/h5-9,11-12H,4,10H2,1-3H3,(H,24,25,26)
InChIKeyCVDUGDCASFJMQD-UHFFFAOYSA-N
MW455.63 g/mol
LogP6.19
Rot. Bonds7

About N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 16600867) has the molecular formula C22H21N3O2S3 and a molecular weight of 455.63 g/mol. Its IUPAC name is N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID16600867
Molecular FormulaC22H21N3O2S3
Molecular Weight455.63 g/mol
Exact Mass455.08
IUPAC NameN-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2nc(-c3cc(C)sc3C)cs2)cs1
InChIInChI=1S/C22H21N3O2S3/c1-4-27-19-8-6-5-7-16(19)21-23-15(11-28-21)10-20(26)25-22-24-18(12-29-22)17-9-13(2)30-14(17)3/h5-9,11-12H,4,10H2,1-3H3,(H,24,25,26)
InChIKeyCVDUGDCASFJMQD-UHFFFAOYSA-N
XLogP6.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.63
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 20894861
ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 55487030
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 52586012
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 16590498
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16593803

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 16600867) is N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2nc(-c3cc(C)sc3C)cs2)cs1.
What is the InChIKey of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is CVDUGDCASFJMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S3/c1-4-27-19-8-6-5-7-16(19)21-23-15(11-28-21)10-20(26)25-22-24-18(12-29-22)17-9-13(2)30-14(17)3/h5-9,11-12H,4,10H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 455.63 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16600867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).