bis(2,4-dimethyl-1,3-thiazole);methane

C12H22N2S2 — CID 157413510

IUPACbis(2,4-dimethyl-1,3-thiazole);methane
SMILESC.C.Cc1csc(C)n1.Cc1csc(C)n1
InChIInChI=1S/2C5H7NS.2CH4/c2*1-4-3-7-5(2)6-4;;/h2*3H,1-2H3;2*1H4
InChIKeyBOOJZEMBENXQKA-UHFFFAOYSA-N
MW258.46 g/mol
LogP4.79
Rot. Bonds

About bis(2,4-dimethyl-1,3-thiazole);methane

bis(2,4-dimethyl-1,3-thiazole);methane (PubChem CID 157413510) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is bis(2,4-dimethyl-1,3-thiazole);methane.

Molecular Properties

Compound Namebis(2,4-dimethyl-1,3-thiazole);methane
PubChem CID157413510
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Namebis(2,4-dimethyl-1,3-thiazole);methane
SMILESC.C.Cc1csc(C)n1.Cc1csc(C)n1
InChIInChI=1S/2C5H7NS.2CH4/c2*1-4-3-7-5(2)6-4;;/h2*3H,1-2H3;2*1H4
InChIKeyBOOJZEMBENXQKA-UHFFFAOYSA-N
XLogP4.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-1,3-thiazole);methane?
The IUPAC name of bis(2,4-dimethyl-1,3-thiazole);methane (CID 157413510) is bis(2,4-dimethyl-1,3-thiazole);methane.
What is the SMILES notation for bis(2,4-dimethyl-1,3-thiazole);methane?
The canonical SMILES for bis(2,4-dimethyl-1,3-thiazole);methane is C.C.Cc1csc(C)n1.Cc1csc(C)n1.
What is the InChIKey of bis(2,4-dimethyl-1,3-thiazole);methane?
The InChIKey is BOOJZEMBENXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NS.2CH4/c2*1-4-3-7-5(2)6-4;;/h2*3H,1-2H3;2*1H4.
What are the key properties of bis(2,4-dimethyl-1,3-thiazole);methane?
bis(2,4-dimethyl-1,3-thiazole);methane has a molecular weight of 258.46 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethyl-1,3-thiazole);methane is sourced from PubChem (CID 157413510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).