N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C19H16ClN3O4S — CID 55494109

IUPACN-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cs1
InChIInChI=1S/C19H16ClN3O4S/c1-2-27-17-6-4-3-5-14(17)19-22-13(11-28-19)10-18(24)21-12-7-8-15(20)16(9-12)23(25)26/h3-9,11H,2,10H2,1H3,(H,21,24)
InChIKeyXOGQHQBQSSOMPZ-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.95
Rot. Bonds7

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

N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55494109) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID55494109
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cs1
InChIInChI=1S/C19H16ClN3O4S/c1-2-27-17-6-4-3-5-14(17)19-22-13(11-28-19)10-18(24)21-12-7-8-15(20)16(9-12)23(25)26/h3-9,11H,2,10H2,1H3,(H,21,24)
InChIKeyXOGQHQBQSSOMPZ-UHFFFAOYSA-N
XLogP4.95
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16593803
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
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-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55810984
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16590997
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-nitrophenyl)methyl]acetamide
CID 55900515
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
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
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-(2-fluoro-4-methylphenyl)acetamide
CID 16591781

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 55494109) is N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cs1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is XOGQHQBQSSOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-2-27-17-6-4-3-5-14(17)19-22-13(11-28-19)10-18(24)21-12-7-8-15(20)16(9-12)23(25)26/h3-9,11H,2,10H2,1H3,(H,21,24).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 417.87 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55494109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).