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

C22H22N2O2S — CID 16593803

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C22H22N2O2S/c1-2-26-20-9-4-3-8-19(20)22-24-18(14-27-22)13-21(25)23-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-12,14H,2,5-7,13H2,1H3,(H,23,25)
InChIKeyOAWNOPLKBJJNDL-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.88
Rot. Bonds6

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

N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 16593803) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID16593803
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C22H22N2O2S/c1-2-26-20-9-4-3-8-19(20)22-24-18(14-27-22)13-21(25)23-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-12,14H,2,5-7,13H2,1H3,(H,23,25)
InChIKeyOAWNOPLKBJJNDL-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16601162
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16590997
N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55494109
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 16592277
N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18139498
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16595528
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55810984
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 42438100

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 16593803) is N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2ccc3c(c2)CCC3)cs1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is OAWNOPLKBJJNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-2-26-20-9-4-3-8-19(20)22-24-18(14-27-22)13-21(25)23-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-12,14H,2,5-7,13H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 378.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16593803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).