2-methyl-1,3-thiazole;hydrate;hydrochloride

C4H8ClNOS — CID 22288455

IUPAC2-methyl-1,3-thiazole;hydrate;hydrochloride
SMILESCc1nccs1.Cl.O
InChIInChI=1S/C4H5NS.ClH.H2O/c1-4-5-2-3-6-4;;/h2-3H,1H3;1H;1H2
InChIKeyMGYTULBFDWIMAH-UHFFFAOYSA-N
MW153.63 g/mol
LogP1.05
Rot. Bonds

About 2-methyl-1,3-thiazole;hydrate;hydrochloride

2-methyl-1,3-thiazole;hydrate;hydrochloride (PubChem CID 22288455) has the molecular formula C4H8ClNOS and a molecular weight of 153.63 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole;hydrate;hydrochloride.

Molecular Properties

Compound Name2-methyl-1,3-thiazole;hydrate;hydrochloride
PubChem CID22288455
Molecular FormulaC4H8ClNOS
Molecular Weight153.63 g/mol
Exact Mass153.00
IUPAC Name2-methyl-1,3-thiazole;hydrate;hydrochloride
SMILESCc1nccs1.Cl.O
InChIInChI=1S/C4H5NS.ClH.H2O/c1-4-5-2-3-6-4;;/h2-3H,1H3;1H;1H2
InChIKeyMGYTULBFDWIMAH-UHFFFAOYSA-N
XLogP1.05
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole;hydrate;hydrochloride?
The IUPAC name of 2-methyl-1,3-thiazole;hydrate;hydrochloride (CID 22288455) is 2-methyl-1,3-thiazole;hydrate;hydrochloride.
What is the SMILES notation for 2-methyl-1,3-thiazole;hydrate;hydrochloride?
The canonical SMILES for 2-methyl-1,3-thiazole;hydrate;hydrochloride is Cc1nccs1.Cl.O.
What is the InChIKey of 2-methyl-1,3-thiazole;hydrate;hydrochloride?
The InChIKey is MGYTULBFDWIMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.ClH.H2O/c1-4-5-2-3-6-4;;/h2-3H,1H3;1H;1H2.
What are the key properties of 2-methyl-1,3-thiazole;hydrate;hydrochloride?
2-methyl-1,3-thiazole;hydrate;hydrochloride has a molecular weight of 153.63 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole;hydrate;hydrochloride is sourced from PubChem (CID 22288455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).