(2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene

C11H10N4O2S — CID 20606890

IUPAC(2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene
SMILESCc1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1
InChIInChI=1S/C11H10N4O2S/c1-7-3-4-9(8(2)5-7)13-14-11-12-6-10(18-11)15(16)17/h3-6H,1-2H3/b14-13+
InChIKeyLFBCBGMRFDZLJA-BUHFOSPRSA-N
MW262.29 g/mol
LogP4.08
Rot. Bonds3

About (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene

(2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene (PubChem CID 20606890) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene
PubChem CID20606890
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name(2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene
SMILESCc1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1
InChIInChI=1S/C11H10N4O2S/c1-7-3-4-9(8(2)5-7)13-14-11-12-6-10(18-11)15(16)17/h3-6H,1-2H3/b14-13+
InChIKeyLFBCBGMRFDZLJA-BUHFOSPRSA-N
XLogP4.08
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

N,N-dibutyl-3-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
CID 163907954
N,N-dimethyl-4-[[4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]phenyl]diazenyl]aniline
CID 102222446
2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline
CID 18987570
(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene
CID 171057593
N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine
CID 71368434
(Z)-1-(4-ethylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
CID 122714097
2-hydroxy-5-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 11587226
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
(Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
CID 122714101
2-(4-bromo-3,5-dimethylphenoxy)-5-nitro-1,3-thiazole
CID 107724061
(4-hydroxy-3,5-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)methanone
CID 21481571
methyl (E)-2-[(2,4-dimethylphenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135485999

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene?
The IUPAC name of (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene (CID 20606890) is (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene.
What is the SMILES notation for (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene?
The canonical SMILES for (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene is Cc1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene?
The InChIKey is LFBCBGMRFDZLJA-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-7-3-4-9(8(2)5-7)13-14-11-12-6-10(18-11)15(16)17/h3-6H,1-2H3/b14-13+.
What are the key properties of (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene?
(2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene has a molecular weight of 262.29 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 20606890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).