1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone

C7H6N2OS — CID 15665817

IUPAC1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone
SMILESCC(=O)c1cc2scnc2[nH]1
InChIInChI=1S/C7H6N2OS/c1-4(10)5-2-6-7(9-5)8-3-11-6/h2-3,9H,1H3
InChIKeyMQWLLAIQOXPNGQ-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.83
Rot. Bonds1

About 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone

1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone (PubChem CID 15665817) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone
PubChem CID15665817
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone
SMILESCC(=O)c1cc2scnc2[nH]1
InChIInChI=1S/C7H6N2OS/c1-4(10)5-2-6-7(9-5)8-3-11-6/h2-3,9H,1H3
InChIKeyMQWLLAIQOXPNGQ-UHFFFAOYSA-N
XLogP1.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone?
The IUPAC name of 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone (CID 15665817) is 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone is CC(=O)c1cc2scnc2[nH]1.
What is the InChIKey of 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone?
The InChIKey is MQWLLAIQOXPNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-4(10)5-2-6-7(9-5)8-3-11-6/h2-3,9H,1H3.
What are the key properties of 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone?
1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone has a molecular weight of 166.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-pyrrolo[2,3-d][1,3]thiazol-5-yl)ethanone is sourced from PubChem (CID 15665817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).