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

C9H8N2OS — CID 136984683

IUPAC1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H8N2OS/c1-6(12)8-5-13-9(11-8)7-3-2-4-10-7/h2-5,10H,1H3
InChIKeyKRRVIWHQXGIUSE-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.34
Rot. Bonds2

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

1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 136984683) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID136984683
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H8N2OS/c1-6(12)8-5-13-9(11-8)7-3-2-4-10-7/h2-5,10H,1H3
InChIKeyKRRVIWHQXGIUSE-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1H-pyrrol-2-yl)-1,3-thiazole-4-carboxylate
CID 136984627
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
methyl 2-methyl-2-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 136988902
3-amino-3-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 136988948
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
CID 137013305
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 64542408
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 113420193
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 65198190
1-(2-quinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 64542810
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone (CID 136984683) is 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-c2ccc[nH]2)n1.
What is the InChIKey of 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is KRRVIWHQXGIUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6(12)8-5-13-9(11-8)7-3-2-4-10-7/h2-5,10H,1H3.
What are the key properties of 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 192.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 136984683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).