bis(1,3-thiazol-5-yl)methanone

C7H4N2OS2 — CID 19047441

IUPACbis(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)c1cncs1
InChIInChI=1S/C7H4N2OS2/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h1-4H
InChIKeyVJJVNHGWVIRYGZ-UHFFFAOYSA-N
MW196.26 g/mol
LogP1.83
Rot. Bonds2

About bis(1,3-thiazol-5-yl)methanone

bis(1,3-thiazol-5-yl)methanone (PubChem CID 19047441) has the molecular formula C7H4N2OS2 and a molecular weight of 196.26 g/mol. Its IUPAC name is bis(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Namebis(1,3-thiazol-5-yl)methanone
PubChem CID19047441
Molecular FormulaC7H4N2OS2
Molecular Weight196.26 g/mol
Exact Mass195.98
IUPAC Namebis(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)c1cncs1
InChIInChI=1S/C7H4N2OS2/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h1-4H
InChIKeyVJJVNHGWVIRYGZ-UHFFFAOYSA-N
XLogP1.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-thiazol-5-yl)methanone?
The IUPAC name of bis(1,3-thiazol-5-yl)methanone (CID 19047441) is bis(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for bis(1,3-thiazol-5-yl)methanone?
The canonical SMILES for bis(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)c1cncs1.
What is the InChIKey of bis(1,3-thiazol-5-yl)methanone?
The InChIKey is VJJVNHGWVIRYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2OS2/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h1-4H.
What are the key properties of bis(1,3-thiazol-5-yl)methanone?
bis(1,3-thiazol-5-yl)methanone has a molecular weight of 196.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 19047441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).