(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone

C14H14N2O3S — CID 175337539

IUPAC(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCS(=O)(=O)C1
InChIInChI=1S/C14H14N2O3S/c17-14(16-8-9-20(18,19)11-16)12-4-3-5-13(10-12)15-6-1-2-7-15/h1-7,10H,8-9,11H2
InChIKeyUISBYCSQOLMLGR-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.31
Rot. Bonds2

About (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone

(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 175337539) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone
PubChem CID175337539
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCS(=O)(=O)C1
InChIInChI=1S/C14H14N2O3S/c17-14(16-8-9-20(18,19)11-16)12-4-3-5-13(10-12)15-6-1-2-7-15/h1-7,10H,8-9,11H2
InChIKeyUISBYCSQOLMLGR-UHFFFAOYSA-N
XLogP1.31
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone
CID 118061580
(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 25355501
(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 166245161
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43581926

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone (CID 175337539) is (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccc2)c1)N1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is UISBYCSQOLMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-14(16-8-9-20(18,19)11-16)12-4-3-5-13(10-12)15-6-1-2-7-15/h1-7,10H,8-9,11H2.
What are the key properties of (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone?
(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 290.34 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 175337539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).