2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole

C9H12N2S2 — CID 142031443

IUPAC2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole
SMILESCc1csc(C)n1.Cc1cscn1
InChIInChI=1S/C5H7NS.C4H5NS/c1-4-3-7-5(2)6-4;1-4-2-6-3-5-4/h3H,1-2H3;2-3H,1H3
InChIKeyWJVAKZNXPSLCBU-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.21
Rot. Bonds

About 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole

2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole (PubChem CID 142031443) has the molecular formula C9H12N2S2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole
PubChem CID142031443
Molecular FormulaC9H12N2S2
Molecular Weight212.34 g/mol
Exact Mass212.04
IUPAC Name2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole
SMILESCc1csc(C)n1.Cc1cscn1
InChIInChI=1S/C5H7NS.C4H5NS/c1-4-3-7-5(2)6-4;1-4-2-6-3-5-4/h3H,1-2H3;2-3H,1H3
InChIKeyWJVAKZNXPSLCBU-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole (CID 142031443) is 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole is Cc1csc(C)n1.Cc1cscn1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole?
The InChIKey is WJVAKZNXPSLCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C4H5NS/c1-4-3-7-5(2)6-4;1-4-2-6-3-5-4/h3H,1-2H3;2-3H,1H3.
What are the key properties of 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole?
2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole has a molecular weight of 212.34 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;4-methyl-1,3-thiazole is sourced from PubChem (CID 142031443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).