1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone

C9H9N3OS — CID 130549719

IUPAC1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1csnn1
InChIInChI=1S/C9H9N3OS/c1-7(13)9-3-2-4-12(9)5-8-6-14-11-10-8/h2-4,6H,5H2,1H3
InChIKeyANSKCQHZOYSDMN-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.59
Rot. Bonds3

About 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone

1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone (PubChem CID 130549719) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone
PubChem CID130549719
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1csnn1
InChIInChI=1S/C9H9N3OS/c1-7(13)9-3-2-4-12(9)5-8-6-14-11-10-8/h2-4,6H,5H2,1H3
InChIKeyANSKCQHZOYSDMN-UHFFFAOYSA-N
XLogP1.59
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one
CID 130549573
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 79106384
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107545
1-[1-[[2-(chloromethyl)phenyl]methyl]pyrrol-2-yl]ethanone
CID 14612751
1-[1-(2-methylidenebutyl)pyrrol-2-yl]ethanone
CID 79107556
1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone
CID 102877907
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107226
2-(2-acetylpyrrol-1-yl)acetonitrile
CID 79106170
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]ethanone
CID 79106592
1-[1-(4-methylpentyl)pyrrol-2-yl]ethanone
CID 83157804
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107232
1-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrol-2-yl]ethanone
CID 79107228

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone (CID 130549719) is 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone is CC(=O)c1cccn1Cc1csnn1.
What is the InChIKey of 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone?
The InChIKey is ANSKCQHZOYSDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-7(13)9-3-2-4-12(9)5-8-6-14-11-10-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone?
1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone has a molecular weight of 207.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 130549719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).