bis(2-methyl-1,3-thiazol-4-yl)methanone

C9H8N2OS2 — CID 90744701

IUPACbis(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2csc(C)n2)cs1
InChIInChI=1S/C9H8N2OS2/c1-5-10-7(3-13-5)9(12)8-4-14-6(2)11-8/h3-4H,1-2H3
InChIKeyPDJMFHXFBQTOFN-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.45
Rot. Bonds2

About bis(2-methyl-1,3-thiazol-4-yl)methanone

bis(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 90744701) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is bis(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namebis(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID90744701
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Namebis(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2csc(C)n2)cs1
InChIInChI=1S/C9H8N2OS2/c1-5-10-7(3-13-5)9(12)8-4-14-6(2)11-8/h3-4H,1-2H3
InChIKeyPDJMFHXFBQTOFN-UHFFFAOYSA-N
XLogP2.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of bis(2-methyl-1,3-thiazol-4-yl)methanone (CID 90744701) is bis(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for bis(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for bis(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)c2csc(C)n2)cs1.
What is the InChIKey of bis(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is PDJMFHXFBQTOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-5-10-7(3-13-5)9(12)8-4-14-6(2)11-8/h3-4H,1-2H3.
What are the key properties of bis(2-methyl-1,3-thiazol-4-yl)methanone?
bis(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 224.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 90744701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).