2,4-dimethyl-1,3-thiazole

C10H14N2S2 — CID 159155726

IUPAC2,4-dimethyl-1,3-thiazole
SMILESCc1csc(C)n1.Cc1csc(C)n1
InChIInChI=1S/2C5H7NS/c2*1-4-3-7-5(2)6-4/h2*3H,1-2H3
InChIKeyKJWFBEKNEBJRBN-UHFFFAOYSA-N
MW226.37 g/mol
LogP3.52
Rot. Bonds

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

2,4-dimethyl-1,3-thiazole (PubChem CID 159155726) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole
PubChem CID159155726
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC Name2,4-dimethyl-1,3-thiazole
SMILESCc1csc(C)n1.Cc1csc(C)n1
InChIInChI=1S/2C5H7NS/c2*1-4-3-7-5(2)6-4/h2*3H,1-2H3
InChIKeyKJWFBEKNEBJRBN-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 53.52
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?
The IUPAC name of 2,4-dimethyl-1,3-thiazole (CID 159155726) is 2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole is Cc1csc(C)n1.Cc1csc(C)n1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole?
The InChIKey is KJWFBEKNEBJRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NS/c2*1-4-3-7-5(2)6-4/h2*3H,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-thiazole?
2,4-dimethyl-1,3-thiazole has a molecular weight of 226.37 g/mol, XLogP of 3.52, 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 is sourced from PubChem (CID 159155726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).