N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide

C17H9ClN4O4S — CID 133424446

IUPACN-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide
SMILESN#Cc1c(Cl)nsc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H9ClN4O4S/c18-15-14(9-19)17(27-21-15)26-13-6-4-11(5-7-13)20-16(23)10-2-1-3-12(8-10)22(24)25/h1-8H,(H,20,23)
InChIKeyUBVPEFQNAHKNOD-UHFFFAOYSA-N
MW400.80 g/mol
LogP4.62
Rot. Bonds5

About N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide

N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide (PubChem CID 133424446) has the molecular formula C17H9ClN4O4S and a molecular weight of 400.80 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide
PubChem CID133424446
Molecular FormulaC17H9ClN4O4S
Molecular Weight400.80 g/mol
Exact Mass400.00
IUPAC NameN-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide
SMILESN#Cc1c(Cl)nsc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H9ClN4O4S/c18-15-14(9-19)17(27-21-15)26-13-6-4-11(5-7-13)20-16(23)10-2-1-3-12(8-10)22(24)25/h1-8H,(H,20,23)
InChIKeyUBVPEFQNAHKNOD-UHFFFAOYSA-N
XLogP4.62
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2,4-dichlorophenoxy)phenyl]-3-nitrobenzamide
CID 1321722
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-nitrobenzamide
CID 4179547
4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]benzamide
CID 133425252
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(4-butan-2-yloxyphenyl)-3-nitrobenzamide
CID 17160534
N-(4-acetamidophenyl)-3-(2-chloro-4-nitrophenoxy)benzamide
CID 3859020
3-nitro-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952466
N-(4-chloro-3-hydroxyphenyl)-3-nitrobenzamide
CID 64786524
N-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253599
2-[4-[[3-(4-nitrophenoxy)benzoyl]amino]phenoxy]acetic acid
CID 17172355
N-[4-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 41065885

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide (CID 133424446) is N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide is N#Cc1c(Cl)nsc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide?
The InChIKey is UBVPEFQNAHKNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN4O4S/c18-15-14(9-19)17(27-21-15)26-13-6-4-11(5-7-13)20-16(23)10-2-1-3-12(8-10)22(24)25/h1-8H,(H,20,23).
What are the key properties of N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide?
N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide has a molecular weight of 400.80 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 133424446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).