5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium

C4H5ClNOS+ — CID 57136304

IUPAC5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium
SMILESCc1sc(Cl)c[n+]1O
InChIInChI=1S/C4H5ClNOS/c1-3-6(7)2-4(5)8-3/h2,7H,1H3/q+1
InChIKeyFIQNIMYXGQFTCW-UHFFFAOYSA-N
MW150.61 g/mol
LogP1.23
Rot. Bonds

About 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium

5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium (PubChem CID 57136304) has the molecular formula C4H5ClNOS+ and a molecular weight of 150.61 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium.

Molecular Properties

Compound Name5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium
PubChem CID57136304
Molecular FormulaC4H5ClNOS+
Molecular Weight150.61 g/mol
Exact Mass149.98
IUPAC Name5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium
SMILESCc1sc(Cl)c[n+]1O
InChIInChI=1S/C4H5ClNOS/c1-3-6(7)2-4(5)8-3/h2,7H,1H3/q+1
InChIKeyFIQNIMYXGQFTCW-UHFFFAOYSA-N
XLogP1.23
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2-methyl-1,3-thiazole
CID 13228662
5-Chloro-2-(chloromethyl)-1,3-thiazole
CID 13254720
5-Chloro-1,3-thiazole-2-carbonitrile
CID 45121885
2-(Bromomethyl)-5-chloro-1,3-thiazole hydrobromide
CID 85538761
5-Chloro-2-(chloromethyl)thiazole hydrochloride
CID 177798665
2-(Bromomethyl)-5-chloro-1,3-thiazole
CID 13254718
5-Chloro-2-methoxythiazole
CID 15110474
5-Chloro-3-methyl-1,3-thiazol-3-ium
CID 20028902
5-Chloro-2-propan-2-yl-1,3-thiazole
CID 20811737
2-(Chloromethyl)-3-oxido-1,3-thiazol-3-ium
CID 23451920
3-Hydroxy-2-methyl-1,3-thiazol-3-ium
CID 57172077
5-Chloro-2-(methylthio)thiazole
CID 57579679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium?
The IUPAC name of 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium (CID 57136304) is 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium.
What is the SMILES notation for 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium?
The canonical SMILES for 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium is Cc1sc(Cl)c[n+]1O.
What is the InChIKey of 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium?
The InChIKey is FIQNIMYXGQFTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClNOS/c1-3-6(7)2-4(5)8-3/h2,7H,1H3/q+1.
What are the key properties of 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium?
5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium has a molecular weight of 150.61 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-2-methyl-1,3-thiazol-3-ium is sourced from PubChem (CID 57136304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).