trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium

C10H17N4OS+ — CID 156598389

IUPACtrimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium
SMILESC/C(=N\NC(=O)C[N+](C)(C)C)c1nccs1
InChIInChI=1S/C10H16N4OS/c1-8(10-11-5-6-16-10)12-13-9(15)7-14(2,3)4/h5-6H,7H2,1-4H3/p+1
InChIKeyYXBFZWYZYMNDGM-UHFFFAOYSA-O
MW241.34 g/mol
LogP0.69
Rot. Bonds4

About trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium

trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium (PubChem CID 156598389) has the molecular formula C10H17N4OS+ and a molecular weight of 241.34 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium
PubChem CID156598389
Molecular FormulaC10H17N4OS+
Molecular Weight241.34 g/mol
Exact Mass241.11
IUPAC Nametrimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium
SMILESC/C(=N\NC(=O)C[N+](C)(C)C)c1nccs1
InChIInChI=1S/C10H16N4OS/c1-8(10-11-5-6-16-10)12-13-9(15)7-14(2,3)4/h5-6H,7H2,1-4H3/p+1
InChIKeyYXBFZWYZYMNDGM-UHFFFAOYSA-O
XLogP0.69
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium (CID 156598389) is trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium is C/C(=N\NC(=O)C[N+](C)(C)C)c1nccs1.
What is the InChIKey of trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium?
The InChIKey is YXBFZWYZYMNDGM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N4OS/c1-8(10-11-5-6-16-10)12-13-9(15)7-14(2,3)4/h5-6H,7H2,1-4H3/p+1.
What are the key properties of trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium?
trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium has a molecular weight of 241.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium is sourced from PubChem (CID 156598389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).