dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium

C9H19N2S+ — CID 23261377

IUPACdimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium
SMILESCCCN1CC(C)SC1=[N+](C)C
InChIInChI=1S/C9H19N2S/c1-5-6-11-7-8(2)12-9(11)10(3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyQRODZBVMDMXRPT-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.46
Rot. Bonds2

About dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium

dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium (PubChem CID 23261377) has the molecular formula C9H19N2S+ and a molecular weight of 187.33 g/mol. Its IUPAC name is dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium
PubChem CID23261377
Molecular FormulaC9H19N2S+
Molecular Weight187.33 g/mol
Exact Mass187.13
IUPAC Namedimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium
SMILESCCCN1CC(C)SC1=[N+](C)C
InChIInChI=1S/C9H19N2S/c1-5-6-11-7-8(2)12-9(11)10(3)4/h8H,5-7H2,1-4H3/q+1
InChIKeyQRODZBVMDMXRPT-UHFFFAOYSA-N
XLogP1.46
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium?
The IUPAC name of dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium (CID 23261377) is dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium.
What is the SMILES notation for dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium?
The canonical SMILES for dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium is CCCN1CC(C)SC1=[N+](C)C.
What is the InChIKey of dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium?
The InChIKey is QRODZBVMDMXRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2S/c1-5-6-11-7-8(2)12-9(11)10(3)4/h8H,5-7H2,1-4H3/q+1.
What are the key properties of dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium?
dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium has a molecular weight of 187.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(5-methyl-3-propyl-1,3-thiazolidin-2-ylidene)azanium is sourced from PubChem (CID 23261377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).