(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride

C14H17ClN4OS — CID 145088077

IUPAC(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride
SMILESC[n+]1ccsc1/N=N/c1ccc(N2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C14H17N4OS.ClH/c1-17-8-11-20-14(17)16-15-12-2-4-13(5-3-12)18-6-9-19-10-7-18;/h2-5,8,11H,6-7,9-10H2,1H3;1H/q+1;/p-1
InChIKeyDEYUIPWKDYCSRX-UHFFFAOYSA-M
MW324.84 g/mol
LogP-0.17
Rot. Bonds3

About (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride

(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride (PubChem CID 145088077) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride.

Molecular Properties

Compound Name(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride
PubChem CID145088077
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride
SMILESC[n+]1ccsc1/N=N/c1ccc(N2CCOCC2)cc1.[Cl-]
InChIInChI=1S/C14H17N4OS.ClH/c1-17-8-11-20-14(17)16-15-12-2-4-13(5-3-12)18-6-9-19-10-7-18;/h2-5,8,11H,6-7,9-10H2,1H3;1H/q+1;/p-1
InChIKeyDEYUIPWKDYCSRX-UHFFFAOYSA-M
XLogP-0.17
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 5-0.17
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'}

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Related Compounds

4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-(4-pyrrolidin-1-ylphenyl)aniline
CID 59767419
methyl sulfate;(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-piperidin-1-ylphenyl)diazene
CID 121366173
(3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene
CID 121366200
carbanide;(3-ethyl-1,3-thiazol-3-ium-2-yl)-[4-[4-[4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene
CID 159821817
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
N,N'-bis[4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine dichloride
CID 130422087
zinc;bis(N,N-diethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline);tetrachloride
CID 138400967
[4-(4-morpholin-4-ylphenyl)phenyl]-(4-thiomorpholin-4-ylphenyl)diazene
CID 118528756
(4-butoxyphenyl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene
CID 91080593
N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline dichloride
CID 130422065
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride?
The IUPAC name of (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride (CID 145088077) is (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride.
What is the SMILES notation for (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride?
The canonical SMILES for (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride is C[n+]1ccsc1/N=N/c1ccc(N2CCOCC2)cc1.[Cl-].
What is the InChIKey of (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride?
The InChIKey is DEYUIPWKDYCSRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17N4OS.ClH/c1-17-8-11-20-14(17)16-15-12-2-4-13(5-3-12)18-6-9-19-10-7-18;/h2-5,8,11H,6-7,9-10H2,1H3;1H/q+1;/p-1.
What are the key properties of (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride?
(3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride has a molecular weight of 324.84 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,3-thiazol-3-ium-2-yl)-(4-morpholin-4-ylphenyl)diazene chloride is sourced from PubChem (CID 145088077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).