trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium

C7H15N2S+ — CID 123309345

IUPACtrimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium
SMILESCC1SC=NC1[N+](C)(C)C
InChIInChI=1S/C7H15N2S/c1-6-7(8-5-10-6)9(2,3)4/h5-7H,1-4H3/q+1
InChIKeyQQIUNCQYNMYCQR-UHFFFAOYSA-N
MW159.28 g/mol
LogP1.18
Rot. Bonds1

About trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium

trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium (PubChem CID 123309345) has the molecular formula C7H15N2S+ and a molecular weight of 159.28 g/mol. Its IUPAC name is trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium
PubChem CID123309345
Molecular FormulaC7H15N2S+
Molecular Weight159.28 g/mol
Exact Mass159.10
IUPAC Nametrimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium
SMILESCC1SC=NC1[N+](C)(C)C
InChIInChI=1S/C7H15N2S/c1-6-7(8-5-10-6)9(2,3)4/h5-7H,1-4H3/q+1
InChIKeyQQIUNCQYNMYCQR-UHFFFAOYSA-N
XLogP1.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium?
The IUPAC name of trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium (CID 123309345) is trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium.
What is the SMILES notation for trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium?
The canonical SMILES for trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium is CC1SC=NC1[N+](C)(C)C.
What is the InChIKey of trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium?
The InChIKey is QQIUNCQYNMYCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2S/c1-6-7(8-5-10-6)9(2,3)4/h5-7H,1-4H3/q+1.
What are the key properties of trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium?
trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium has a molecular weight of 159.28 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(5-methyl-4,5-dihydro-1,3-thiazol-4-yl)azanium is sourced from PubChem (CID 123309345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).