bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium

C12H16N3O3S2+ — CID 66636338

IUPACbis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
SMILESCc1ncsc1CCO[N+](=O)OCCc1scnc1C
InChIInChI=1S/C12H16N3O3S2/c1-9-11(19-7-13-9)3-5-17-15(16)18-6-4-12-10(2)14-8-20-12/h7-8H,3-6H2,1-2H3/q+1
InChIKeyUXGPSDUMVRRMNL-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.64
Rot. Bonds8

About bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium

bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium (PubChem CID 66636338) has the molecular formula C12H16N3O3S2+ and a molecular weight of 314.41 g/mol. Its IUPAC name is bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium.

Molecular Properties

Compound Namebis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
PubChem CID66636338
Molecular FormulaC12H16N3O3S2+
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Namebis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
SMILESCc1ncsc1CCO[N+](=O)OCCc1scnc1C
InChIInChI=1S/C12H16N3O3S2/c1-9-11(19-7-13-9)3-5-17-15(16)18-6-4-12-10(2)14-8-20-12/h7-8H,3-6H2,1-2H3/q+1
InChIKeyUXGPSDUMVRRMNL-UHFFFAOYSA-N
XLogP2.64
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
CID 66818170
CID 66818170
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3-thiazol-5-amine
CID 102769344
5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole
CID 116649153
1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-nitrophenyl]ethanone
CID 104613756

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium?
The IUPAC name of bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium (CID 66636338) is bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium.
What is the SMILES notation for bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium?
The canonical SMILES for bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium is Cc1ncsc1CCO[N+](=O)OCCc1scnc1C.
What is the InChIKey of bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium?
The InChIKey is UXGPSDUMVRRMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O3S2/c1-9-11(19-7-13-9)3-5-17-15(16)18-6-4-12-10(2)14-8-20-12/h7-8H,3-6H2,1-2H3/q+1.
What are the key properties of bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium?
bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium has a molecular weight of 314.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium is sourced from PubChem (CID 66636338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).