4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide

C14H15N3O3S — CID 71977496

IUPAC4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1scnc1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3S/c1-3-12(10-5-4-6-11(7-10)17(19)20)16-14(18)13-9(2)15-8-21-13/h4-8,12H,3H2,1-2H3,(H,16,18)
InChIKeyHGQMPAGTJLPGLG-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.24
Rot. Bonds5

About 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 71977496) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID71977496
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1scnc1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3S/c1-3-12(10-5-4-6-11(7-10)17(19)20)16-14(18)13-9(2)15-8-21-13/h4-8,12H,3H2,1-2H3,(H,16,18)
InChIKeyHGQMPAGTJLPGLG-UHFFFAOYSA-N
XLogP3.24
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.24
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'}

Analyze 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide 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-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
CID 11392415
N-[1-(3-nitrophenyl)propyl]-1,3-thiazol-2-amine
CID 79046608
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71862115
N-(2-methylpropoxy)-1-(3-nitrophenyl)propan-1-amine
CID 82709613
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide
CID 166373427
N-[1-(3-nitrophenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815921
N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43574201
N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940344

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide (CID 71977496) is 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1scnc1C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HGQMPAGTJLPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-12(10-5-4-6-11(7-10)17(19)20)16-14(18)13-9(2)15-8-21-13/h4-8,12H,3H2,1-2H3,(H,16,18).
What are the key properties of 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71977496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).