N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline

C15H19N5O2S — CID 5329384

IUPACN-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
SMILESCCCCN(C)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1
InChIInChI=1S/C15H19N5O2S/c1-4-5-8-19(3)12-6-7-13(11(2)9-12)17-18-15-16-10-14(23-15)20(21)22/h6-7,9-10H,4-5,8H2,1-3H3/b18-17+
InChIKeyHOYVECBZYTUZCH-ISLYRVAYSA-N
MW333.42 g/mol
LogP5.01
Rot. Bonds7

About N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline

N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline (PubChem CID 5329384) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline.

Molecular Properties

Compound NameN-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
PubChem CID5329384
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
SMILESCCCCN(C)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1
InChIInChI=1S/C15H19N5O2S/c1-4-5-8-19(3)12-6-7-13(11(2)9-12)17-18-15-16-10-14(23-15)20(21)22/h6-7,9-10H,4-5,8H2,1-3H3/b18-17+
InChIKeyHOYVECBZYTUZCH-ISLYRVAYSA-N
XLogP5.01
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline 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

Disperse Blue 124
CID 84802
Ethanol, 2-[ethyl[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]amino]-
CID 108061
5-[(3-Nitrophenyl)methyl]-1,3-thiazol-2-amine
CID 691969
N,N-diethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
CID 116816
Benzenamine, N,N-diethyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]-
CID 104718
1,2-Propanediol, 3-(ethyl(3-methyl-4-((5-nitro-2-thiazolyl)azo)phenyl)amino)-
CID 112153
2,2'-(3-Methyl-4-(5-nitrothiazol-2-ylazo)phenylimino)bisethanol
CID 175361
Propanenitrile, 3-[[4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl](2-phenylethyl)amino]-
CID 88222
1-Chloro-3-(ethyl(3-methyl-4-((5-nitrothiazol-2-yl)azo)phenyl)amino)propan-2-ol
CID 116713
Propanenitrile, 3-((4-(2-(5-nitro-2-thiazolyl)diazenyl)phenyl)(3-phenylpropyl)amino)-
CID 171430
5-[(2-Nitrophenyl)methyl]-1,3-thiazol-2-amine
CID 1378583
1-Benzyl-4-(5-nitro-1,3-thiazol-2-yl)piperazine
CID 146049481

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline?
The IUPAC name of N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline (CID 5329384) is N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline.
What is the SMILES notation for N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline?
The canonical SMILES for N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline is CCCCN(C)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1.
What is the InChIKey of N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline?
The InChIKey is HOYVECBZYTUZCH-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-4-5-8-19(3)12-6-7-13(11(2)9-12)17-18-15-16-10-14(23-15)20(21)22/h6-7,9-10H,4-5,8H2,1-3H3/b18-17+.
What are the key properties of N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline?
N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline has a molecular weight of 333.42 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3-dimethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline is sourced from PubChem (CID 5329384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).