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

C6H12NS+ — CID 138677980

IUPAC3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESCC1SC=[N+](C)C1C
InChIInChI=1S/C6H12NS/c1-5-6(2)8-4-7(5)3/h4-6H,1-3H3/q+1
InChIKeySIGKUIWLFXLNCO-UHFFFAOYSA-N
MW130.24 g/mol
LogP1.18
Rot. Bonds

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

3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium (PubChem CID 138677980) has the molecular formula C6H12NS+ and a molecular weight of 130.24 g/mol. Its IUPAC name is 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium.

Molecular Properties

Compound Name3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium
PubChem CID138677980
Molecular FormulaC6H12NS+
Molecular Weight130.24 g/mol
Exact Mass130.07
IUPAC Name3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESCC1SC=[N+](C)C1C
InChIInChI=1S/C6H12NS/c1-5-6(2)8-4-7(5)3/h4-6H,1-3H3/q+1
InChIKeySIGKUIWLFXLNCO-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'}

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Related Compounds

3,4-Dimethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19826786
4-Methylthiazoline
CID 21278646
4-Ethyl-4,5-dihydro-1,3-thiazole
CID 13901675
4,5-Dimethyl-4,5-dihydro-1,3-thiazole
CID 18350318
4,5-Dimethyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium
CID 18432209
4-Methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium
CID 18432228
3-Propyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19020679
3-Butyl-4,5-dihydro-1,3-thiazol-3-ium
CID 57088448
3,4-Dimethyl-1-sulfanylidene-4,5-dihydro-1,3-thiazol-3-ium
CID 57201290
(4R,5S)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
CID 59379152
(4S,5R)-4,5-dimethyl-4,5-dihydro-1,3-thiazole
CID 59379164
2,3,4,5-Tetramethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 59886698

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium?
The IUPAC name of 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium (CID 138677980) is 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium.
What is the SMILES notation for 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium?
The canonical SMILES for 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium is CC1SC=[N+](C)C1C.
What is the InChIKey of 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium?
The InChIKey is SIGKUIWLFXLNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NS/c1-5-6(2)8-4-7(5)3/h4-6H,1-3H3/q+1.
What are the key properties of 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium?
3,4,5-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 3,4,5-trimethyl-4,5-dihydro-1,3-thiazol-3-ium is sourced from PubChem (CID 138677980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).