1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

C14H11NOS2 — CID 62699422

IUPAC1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2csc3ccccc23)nc1C
InChIInChI=1S/C14H11NOS2/c1-8-13(9(2)16)18-14(15-8)11-7-17-12-6-4-3-5-10(11)12/h3-7H,1-2H3
InChIKeyDLEQBRILWIPLPP-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.54
Rot. Bonds2

About 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 62699422) has the molecular formula C14H11NOS2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID62699422
Molecular FormulaC14H11NOS2
Molecular Weight273.38 g/mol
Exact Mass273.03
IUPAC Name1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2csc3ccccc23)nc1C
InChIInChI=1S/C14H11NOS2/c1-8-13(9(2)16)18-14(15-8)11-7-17-12-6-4-3-5-10(11)12/h3-7H,1-2H3
InChIKeyDLEQBRILWIPLPP-UHFFFAOYSA-N
XLogP4.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 62699422) is 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2csc3ccccc23)nc1C.
What is the InChIKey of 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is DLEQBRILWIPLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS2/c1-8-13(9(2)16)18-14(15-8)11-7-17-12-6-4-3-5-10(11)12/h3-7H,1-2H3.
What are the key properties of 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62699422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).