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

C6H10ClNS — CID 15083856

IUPAC3,4,5-trimethyl-1,3-thiazol-3-ium chloride
SMILESCc1sc[n+](C)c1C.[Cl-]
InChIInChI=1S/C6H10NS.ClH/c1-5-6(2)8-4-7(5)3;/h4H,1-3H3;1H/q+1;/p-1
InChIKeyGYHCSCRHYAHUDG-UHFFFAOYSA-M
MW163.67 g/mol
LogP-1.81
Rot. Bonds

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

3,4,5-trimethyl-1,3-thiazol-3-ium chloride (PubChem CID 15083856) has the molecular formula C6H10ClNS and a molecular weight of 163.67 g/mol. Its IUPAC name is 3,4,5-trimethyl-1,3-thiazol-3-ium chloride.

Molecular Properties

Compound Name3,4,5-trimethyl-1,3-thiazol-3-ium chloride
PubChem CID15083856
Molecular FormulaC6H10ClNS
Molecular Weight163.67 g/mol
Exact Mass163.02
IUPAC Name3,4,5-trimethyl-1,3-thiazol-3-ium chloride
SMILESCc1sc[n+](C)c1C.[Cl-]
InChIInChI=1S/C6H10NS.ClH/c1-5-6(2)8-4-7(5)3;/h4H,1-3H3;1H/q+1;/p-1
InChIKeyGYHCSCRHYAHUDG-UHFFFAOYSA-M
XLogP-1.81
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.67
LogP ≤ 5-1.81
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

CID 62510
CID 62510
CID 521384
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CID 71400698
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CID 54759131
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CID 72207060
CID 72207060
CID 444209
CID 444209
CID 54049393
CID 54049393
CID 12214736
CID 12214736
CID 14276898
CID 14276898
CID 15179919
CID 15179919
CID 5324798
CID 5324798
CID 5324812
CID 5324812

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1,3-thiazol-3-ium chloride?
The IUPAC name of 3,4,5-trimethyl-1,3-thiazol-3-ium chloride (CID 15083856) is 3,4,5-trimethyl-1,3-thiazol-3-ium chloride.
What is the SMILES notation for 3,4,5-trimethyl-1,3-thiazol-3-ium chloride?
The canonical SMILES for 3,4,5-trimethyl-1,3-thiazol-3-ium chloride is Cc1sc[n+](C)c1C.[Cl-].
What is the InChIKey of 3,4,5-trimethyl-1,3-thiazol-3-ium chloride?
The InChIKey is GYHCSCRHYAHUDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10NS.ClH/c1-5-6(2)8-4-7(5)3;/h4H,1-3H3;1H/q+1;/p-1.
What are the key properties of 3,4,5-trimethyl-1,3-thiazol-3-ium chloride?
3,4,5-trimethyl-1,3-thiazol-3-ium chloride has a molecular weight of 163.67 g/mol, XLogP of -1.81, 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-1,3-thiazol-3-ium chloride is sourced from PubChem (CID 15083856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).