azane;methane;2-methyl-1,3-thiazole;hydrochloride

C5H13ClN2S — CID 174730432

IUPACazane;methane;2-methyl-1,3-thiazole;hydrochloride
SMILESC.Cc1nccs1.Cl.N
InChIInChI=1S/C4H5NS.CH4.ClH.H3N/c1-4-5-2-3-6-4;;;/h2-3H,1H3;1H4;1H;1H3
InChIKeyQXMOOKVROWNLRX-UHFFFAOYSA-N
MW168.69 g/mol
LogP2.67
Rot. Bonds

About azane;methane;2-methyl-1,3-thiazole;hydrochloride

azane;methane;2-methyl-1,3-thiazole;hydrochloride (PubChem CID 174730432) has the molecular formula C5H13ClN2S and a molecular weight of 168.69 g/mol. Its IUPAC name is azane;methane;2-methyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Nameazane;methane;2-methyl-1,3-thiazole;hydrochloride
PubChem CID174730432
Molecular FormulaC5H13ClN2S
Molecular Weight168.69 g/mol
Exact Mass168.05
IUPAC Nameazane;methane;2-methyl-1,3-thiazole;hydrochloride
SMILESC.Cc1nccs1.Cl.N
InChIInChI=1S/C4H5NS.CH4.ClH.H3N/c1-4-5-2-3-6-4;;;/h2-3H,1H3;1H4;1H;1H3
InChIKeyQXMOOKVROWNLRX-UHFFFAOYSA-N
XLogP2.67
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.69
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;methane;2-methyl-1,3-thiazole;hydrochloride?
The IUPAC name of azane;methane;2-methyl-1,3-thiazole;hydrochloride (CID 174730432) is azane;methane;2-methyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for azane;methane;2-methyl-1,3-thiazole;hydrochloride?
The canonical SMILES for azane;methane;2-methyl-1,3-thiazole;hydrochloride is C.Cc1nccs1.Cl.N.
What is the InChIKey of azane;methane;2-methyl-1,3-thiazole;hydrochloride?
The InChIKey is QXMOOKVROWNLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.CH4.ClH.H3N/c1-4-5-2-3-6-4;;;/h2-3H,1H3;1H4;1H;1H3.
What are the key properties of azane;methane;2-methyl-1,3-thiazole;hydrochloride?
azane;methane;2-methyl-1,3-thiazole;hydrochloride has a molecular weight of 168.69 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methane;2-methyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 174730432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).