N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide

C18H23N3O3S — CID 4874226

IUPACN-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide
SMILESCCCCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C18H23N3O3S/c1-2-3-4-5-6-7-11-17(22)20-18-19-16(13-25-18)14-9-8-10-15(12-14)21(23)24/h8-10,12-13H,2-7,11H2,1H3,(H,19,20,22)
InChIKeyDRLCYSJWBBDTOV-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.41
Rot. Bonds10

About N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide

N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide (PubChem CID 4874226) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide.

Molecular Properties

Compound NameN-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide
PubChem CID4874226
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide
SMILESCCCCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C18H23N3O3S/c1-2-3-4-5-6-7-11-17(22)20-18-19-16(13-25-18)14-9-8-10-15(12-14)21(23)24/h8-10,12-13H,2-7,11H2,1H3,(H,19,20,22)
InChIKeyDRLCYSJWBBDTOV-UHFFFAOYSA-N
XLogP5.41
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide 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

4-(2-ethoxyphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 2525275
methanol;[6-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-6-oxohexyl] N-tert-butylcarbamate
CID 176652780
4-(4-fluorophenyl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 41086935
4-(4-chlorophenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 19184062
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
2-bromo-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856474
2-(4-methylsulfanylphenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 18586787
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
2-(3-fluorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 51532810
2-(2-fluorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 51532819
2-[4-(4-methylphenyl)phenoxy]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19180746
2-(4-methylphenyl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 7254516

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide?
The IUPAC name of N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide (CID 4874226) is N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide.
What is the SMILES notation for N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide?
The canonical SMILES for N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide is CCCCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1.
What is the InChIKey of N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide?
The InChIKey is DRLCYSJWBBDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-3-4-5-6-7-11-17(22)20-18-19-16(13-25-18)14-9-8-10-15(12-14)21(23)24/h8-10,12-13H,2-7,11H2,1H3,(H,19,20,22).
What are the key properties of N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide?
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide has a molecular weight of 361.47 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide is sourced from PubChem (CID 4874226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).