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

C11H12N2OS2 — CID 151933109

IUPACbis(2-ethyl-1,3-thiazol-4-yl)methanone
SMILESCCc1nc(C(=O)c2csc(CC)n2)cs1
InChIInChI=1S/C11H12N2OS2/c1-3-9-12-7(5-15-9)11(14)8-6-16-10(4-2)13-8/h5-6H,3-4H2,1-2H3
InChIKeySZFKLYAMZYUUSK-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.96
Rot. Bonds4

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

bis(2-ethyl-1,3-thiazol-4-yl)methanone (PubChem CID 151933109) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is bis(2-ethyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namebis(2-ethyl-1,3-thiazol-4-yl)methanone
PubChem CID151933109
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Namebis(2-ethyl-1,3-thiazol-4-yl)methanone
SMILESCCc1nc(C(=O)c2csc(CC)n2)cs1
InChIInChI=1S/C11H12N2OS2/c1-3-9-12-7(5-15-9)11(14)8-6-16-10(4-2)13-8/h5-6H,3-4H2,1-2H3
InChIKeySZFKLYAMZYUUSK-UHFFFAOYSA-N
XLogP2.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of bis(2-ethyl-1,3-thiazol-4-yl)methanone (CID 151933109) is bis(2-ethyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for bis(2-ethyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for bis(2-ethyl-1,3-thiazol-4-yl)methanone is CCc1nc(C(=O)c2csc(CC)n2)cs1.
What is the InChIKey of bis(2-ethyl-1,3-thiazol-4-yl)methanone?
The InChIKey is SZFKLYAMZYUUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-3-9-12-7(5-15-9)11(14)8-6-16-10(4-2)13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of bis(2-ethyl-1,3-thiazol-4-yl)methanone?
bis(2-ethyl-1,3-thiazol-4-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 151933109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).