methane;5-methyl-1,2-thiazole

C5H9NS — CID 171820576

IUPACmethane;5-methyl-1,2-thiazole
SMILESC.Cc1ccns1
InChIInChI=1S/C4H5NS.CH4/c1-4-2-3-5-6-4;/h2-3H,1H3;1H4
InChIKeyUJQFRJNFXZVGTN-UHFFFAOYSA-N
MW115.20 g/mol
LogP2.09
Rot. Bonds

About methane;5-methyl-1,2-thiazole

methane;5-methyl-1,2-thiazole (PubChem CID 171820576) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is methane;5-methyl-1,2-thiazole.

Molecular Properties

Compound Namemethane;5-methyl-1,2-thiazole
PubChem CID171820576
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Namemethane;5-methyl-1,2-thiazole
SMILESC.Cc1ccns1
InChIInChI=1S/C4H5NS.CH4/c1-4-2-3-5-6-4;/h2-3H,1H3;1H4
InChIKeyUJQFRJNFXZVGTN-UHFFFAOYSA-N
XLogP2.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-1,2-thiazole?
The IUPAC name of methane;5-methyl-1,2-thiazole (CID 171820576) is methane;5-methyl-1,2-thiazole.
What is the SMILES notation for methane;5-methyl-1,2-thiazole?
The canonical SMILES for methane;5-methyl-1,2-thiazole is C.Cc1ccns1.
What is the InChIKey of methane;5-methyl-1,2-thiazole?
The InChIKey is UJQFRJNFXZVGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.CH4/c1-4-2-3-5-6-4;/h2-3H,1H3;1H4.
What are the key properties of methane;5-methyl-1,2-thiazole?
methane;5-methyl-1,2-thiazole has a molecular weight of 115.20 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-1,2-thiazole is sourced from PubChem (CID 171820576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).