2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium

C6H12NS+ — CID 18685188

IUPAC2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESCC1=[N+](C)CC(C)S1
InChIInChI=1S/C6H12NS/c1-5-4-7(3)6(2)8-5/h5H,4H2,1-3H3/q+1
InChIKeyJDXLZTYOXNEESZ-UHFFFAOYSA-N
MW130.24 g/mol
LogP1.18
Rot. Bonds

About 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium

2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium (PubChem CID 18685188) has the molecular formula C6H12NS+ and a molecular weight of 130.24 g/mol. Its IUPAC name is 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium.

Molecular Properties

Compound Name2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium
PubChem CID18685188
Molecular FormulaC6H12NS+
Molecular Weight130.24 g/mol
Exact Mass130.07
IUPAC Name2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESCC1=[N+](C)CC(C)S1
InChIInChI=1S/C6H12NS/c1-5-4-7(3)6(2)8-5/h5H,4H2,1-3H3/q+1
InChIKeyJDXLZTYOXNEESZ-UHFFFAOYSA-N
XLogP1.18
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiazolium, 4,5-dihydro-2,3-dimethyl-, iodide (1:1)
CID 117893
Thiazole, 4,5-dihydro-2,5-dimethyl-
CID 97852
2-Ethyl-4,5-dihydrothiazole
CID 86896
Thiazolium, 3-ethyl-4,5-dihydro-2-methyl-, iodide (1:1)
CID 108616
2-Ethyl-4,5-dihydro-5-methylthiazole
CID 205800
Thiazole, 4,5-dihydro-2-propyl-
CID 211465
Oblnpkkgvnwytk-uhfffaoysa-
CID 108617
1-methyl-5-methylsulfanyl-3,4-dihydro-2H-pyrrol-1-ium
CID 12758226
2,3-Dimethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 117894
2,3-dimethyl-5,6-dihydro-4H-1,3-thiazin-3-ium iodide
CID 14296339
5-Ethyl-2-methyl-delta2-thiazoline
CID 521126
2,3-dimethyl-5,6-dihydro-4H-1,3-thiazin-3-ium
CID 12869707

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium?
The IUPAC name of 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium (CID 18685188) is 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium.
What is the SMILES notation for 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium?
The canonical SMILES for 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium is CC1=[N+](C)CC(C)S1.
What is the InChIKey of 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium?
The InChIKey is JDXLZTYOXNEESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NS/c1-5-4-7(3)6(2)8-5/h5H,4H2,1-3H3/q+1.
What are the key properties of 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium?
2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium has a molecular weight of 130.24 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium is sourced from PubChem (CID 18685188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).