3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride

C6H10ClNS — CID 141259284

IUPAC3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride
SMILESC=CN1CSC=C1C.Cl
InChIInChI=1S/C6H9NS.ClH/c1-3-7-5-8-4-6(7)2;/h3-4H,1,5H2,2H3;1H
InChIKeyGFSMSHJMNAVUCS-UHFFFAOYSA-N
MW163.67 g/mol
LogP2.42
Rot. Bonds1

About 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride

3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride (PubChem CID 141259284) has the molecular formula C6H10ClNS and a molecular weight of 163.67 g/mol. Its IUPAC name is 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride
PubChem CID141259284
Molecular FormulaC6H10ClNS
Molecular Weight163.67 g/mol
Exact Mass163.02
IUPAC Name3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride
SMILESC=CN1CSC=C1C.Cl
InChIInChI=1S/C6H9NS.ClH/c1-3-7-5-8-4-6(7)2;/h3-4H,1,5H2,2H3;1H
InChIKeyGFSMSHJMNAVUCS-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.67
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride?
The IUPAC name of 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride (CID 141259284) is 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride.
What is the SMILES notation for 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride?
The canonical SMILES for 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride is C=CN1CSC=C1C.Cl.
What is the InChIKey of 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride?
The InChIKey is GFSMSHJMNAVUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.ClH/c1-3-7-5-8-4-6(7)2;/h3-4H,1,5H2,2H3;1H.
What are the key properties of 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride?
3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride has a molecular weight of 163.67 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methyl-2H-1,3-thiazole;hydrochloride is sourced from PubChem (CID 141259284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).