(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene

C15H19N4OS+ — CID 121366200

IUPAC(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene
SMILESCc1c[n+](C)c(/N=N/c2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C15H19N4OS/c1-12-11-18(2)15(21-12)17-16-13-3-5-14(6-4-13)19-7-9-20-10-8-19/h3-6,11H,7-10H2,1-2H3/q+1
InChIKeyDJNMULWXKYMLGF-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.13
Rot. Bonds3

About (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene

(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene (PubChem CID 121366200) has the molecular formula C15H19N4OS+ and a molecular weight of 303.41 g/mol. Its IUPAC name is (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene.

Molecular Properties

Compound Name(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene
PubChem CID121366200
Molecular FormulaC15H19N4OS+
Molecular Weight303.41 g/mol
Exact Mass303.13
IUPAC Name(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene
SMILESCc1c[n+](C)c(/N=N/c2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C15H19N4OS/c1-12-11-18(2)15(21-12)17-16-13-3-5-14(6-4-13)19-7-9-20-10-8-19/h3-6,11H,7-10H2,1-2H3/q+1
InChIKeyDJNMULWXKYMLGF-UHFFFAOYSA-N
XLogP3.13
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.13
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene 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

(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride
CID 145088077
[4-(azepan-1-yl)phenyl]-(3-ethyl-5-methyl-1,3-thiazol-3-ium-2-yl)diazene
CID 121366193
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 88875102
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216761
(1,3-dimethylimidazol-1-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene;methyl sulfate
CID 145088074
4-(4-ethylphenyl)morpholine
CID 20576442
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene?
The IUPAC name of (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene (CID 121366200) is (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene.
What is the SMILES notation for (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene?
The canonical SMILES for (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene is Cc1c[n+](C)c(/N=N/c2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene?
The InChIKey is DJNMULWXKYMLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N4OS/c1-12-11-18(2)15(21-12)17-16-13-3-5-14(6-4-13)19-7-9-20-10-8-19/h3-6,11H,7-10H2,1-2H3/q+1.
What are the key properties of (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene?
(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene has a molecular weight of 303.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene is sourced from PubChem (CID 121366200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).