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

C8H10N2S2 — CID 143901329

IUPAC2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
SMILESCc1cscn1.Cc1nccs1
InChIInChI=1S/2C4H5NS/c1-4-2-6-3-5-4;1-4-5-2-3-6-4/h2*2-3H,1H3
InChIKeyMRQWNHXJULPPEL-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.90
Rot. Bonds

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

2-methyl-1,3-thiazole;4-methyl-1,3-thiazole (PubChem CID 143901329) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
PubChem CID143901329
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
SMILESCc1cscn1.Cc1nccs1
InChIInChI=1S/2C4H5NS/c1-4-2-6-3-5-4;1-4-5-2-3-6-4/h2*2-3H,1H3
InChIKeyMRQWNHXJULPPEL-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?
The IUPAC name of 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole (CID 143901329) is 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?
The canonical SMILES for 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole is Cc1cscn1.Cc1nccs1.
What is the InChIKey of 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?
The InChIKey is MRQWNHXJULPPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NS/c1-4-2-6-3-5-4;1-4-5-2-3-6-4/h2*2-3H,1H3.
What are the key properties of 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole?
2-methyl-1,3-thiazole;4-methyl-1,3-thiazole has a molecular weight of 198.32 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole;4-methyl-1,3-thiazole is sourced from PubChem (CID 143901329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).