1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone

C10H10N2OS2 — CID 64542591

IUPAC1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(Cc2csc(C)n2)n1
InChIInChI=1S/C10H10N2OS2/c1-6(13)9-5-15-10(12-9)3-8-4-14-7(2)11-8/h4-5H,3H2,1-2H3
InChIKeyOBUHXQNNZDAWBI-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.70
Rot. Bonds3

About 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone

1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 64542591) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID64542591
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(Cc2csc(C)n2)n1
InChIInChI=1S/C10H10N2OS2/c1-6(13)9-5-15-10(12-9)3-8-4-14-7(2)11-8/h4-5H,3H2,1-2H3
InChIKeyOBUHXQNNZDAWBI-UHFFFAOYSA-N
XLogP2.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone (CID 64542591) is 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(Cc2csc(C)n2)n1.
What is the InChIKey of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is OBUHXQNNZDAWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-6(13)9-5-15-10(12-9)3-8-4-14-7(2)11-8/h4-5H,3H2,1-2H3.
What are the key properties of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 238.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64542591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).