2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C19H16ClN3O6S — CID 30395020

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1
InChIInChI=1S/C19H16ClN3O6S/c1-27-12-4-5-13(17(8-12)28-2)15-10-30-19(21-15)22-18(24)9-29-16-6-3-11(23(25)26)7-14(16)20/h3-8,10H,9H2,1-2H3,(H,21,22,24)
InChIKeyZNANCMDRCKKREK-UHFFFAOYSA-N
MW449.87 g/mol
LogP4.41
Rot. Bonds8

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

2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 30395020) has the molecular formula C19H16ClN3O6S and a molecular weight of 449.87 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID30395020
Molecular FormulaC19H16ClN3O6S
Molecular Weight449.87 g/mol
Exact Mass449.04
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1
InChIInChI=1S/C19H16ClN3O6S/c1-27-12-4-5-13(17(8-12)28-2)15-10-30-19(21-15)22-18(24)9-29-16-6-3-11(23(25)26)7-14(16)20/h3-8,10H,9H2,1-2H3,(H,21,22,24)
InChIKeyZNANCMDRCKKREK-UHFFFAOYSA-N
XLogP4.41
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 165342796
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55357113
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
ethyl 3-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate
CID 31490797
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406701
2-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 22584795
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406670
2-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 55722787
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550690
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 40614059

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 30395020) is 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZNANCMDRCKKREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O6S/c1-27-12-4-5-13(17(8-12)28-2)15-10-30-19(21-15)22-18(24)9-29-16-6-3-11(23(25)26)7-14(16)20/h3-8,10H,9H2,1-2H3,(H,21,22,24).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 449.87 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 30395020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).