N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline

C18H26N4S — CID 20650793

IUPACN,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline
SMILESCCCCN(CCCC)c1ccc(/N=N/c2nccs2)c(C)c1
InChIInChI=1S/C18H26N4S/c1-4-6-11-22(12-7-5-2)16-8-9-17(15(3)14-16)20-21-18-19-10-13-23-18/h8-10,13-14H,4-7,11-12H2,1-3H3/b21-20+
InChIKeyWNWVISXOSZZHFM-QZQOTICOSA-N
MW330.50 g/mol
LogP6.27
Rot. Bonds9

About N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline

N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline (PubChem CID 20650793) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline.

Molecular Properties

Compound NameN,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline
PubChem CID20650793
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC NameN,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline
SMILESCCCCN(CCCC)c1ccc(/N=N/c2nccs2)c(C)c1
InChIInChI=1S/C18H26N4S/c1-4-6-11-22(12-7-5-2)16-8-9-17(15(3)14-16)20-21-18-19-10-13-23-18/h8-10,13-14H,4-7,11-12H2,1-3H3/b21-20+
InChIKeyWNWVISXOSZZHFM-QZQOTICOSA-N
XLogP6.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline?
The IUPAC name of N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline (CID 20650793) is N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline.
What is the SMILES notation for N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline?
The canonical SMILES for N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline is CCCCN(CCCC)c1ccc(/N=N/c2nccs2)c(C)c1.
What is the InChIKey of N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline?
The InChIKey is WNWVISXOSZZHFM-QZQOTICOSA-N. The full InChI is InChI=1S/C18H26N4S/c1-4-6-11-22(12-7-5-2)16-8-9-17(15(3)14-16)20-21-18-19-10-13-23-18/h8-10,13-14H,4-7,11-12H2,1-3H3/b21-20+.
What are the key properties of N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline?
N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline has a molecular weight of 330.50 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline is sourced from PubChem (CID 20650793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).