N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide

C21H15N3O3S — CID 4117062

IUPACN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C21H15N3O3S/c25-20(12-14-8-10-16(11-9-14)24(26)27)23-21-22-19(13-28-21)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13H,12H2,(H,22,23,25)
InChIKeyMINYYBHNHSSXQU-UHFFFAOYSA-N
MW389.44 g/mol
LogP5.05
Rot. Bonds5

About N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide (PubChem CID 4117062) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
PubChem CID4117062
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C21H15N3O3S/c25-20(12-14-8-10-16(11-9-14)24(26)27)23-21-22-19(13-28-21)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13H,12H2,(H,22,23,25)
InChIKeyMINYYBHNHSSXQU-UHFFFAOYSA-N
XLogP5.05
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 42992045
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2,4-dinitrobenzamide
CID 3648030
N-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 99148440
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90626132
2-naphthalen-1-yloxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1186312
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 42995912
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 118986380
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
2-(4-methylsulfanylphenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 18586787
5-bromo-N-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 60589558
2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 10450021

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide (CID 4117062) is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
The InChIKey is MINYYBHNHSSXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c25-20(12-14-8-10-16(11-9-14)24(26)27)23-21-22-19(13-28-21)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,13H,12H2,(H,22,23,25).
What are the key properties of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide?
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide has a molecular weight of 389.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4117062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).