(1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone

C14H13FN2O3S — CID 75532476

IUPAC(1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)c(F)c1)N1CCCS1(=O)=O
InChIInChI=1S/C14H13FN2O3S/c15-12-10-11(4-5-13(12)16-6-1-2-7-16)14(18)17-8-3-9-21(17,19)20/h1-2,4-7,10H,3,8-9H2
InChIKeyUIDNSAGOYYWMBH-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.79
Rot. Bonds2

About (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone

(1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone (PubChem CID 75532476) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone
PubChem CID75532476
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name(1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)c(F)c1)N1CCCS1(=O)=O
InChIInChI=1S/C14H13FN2O3S/c15-12-10-11(4-5-13(12)16-6-1-2-7-16)14(18)17-8-3-9-21(17,19)20/h1-2,4-7,10H,3,8-9H2
InChIKeyUIDNSAGOYYWMBH-UHFFFAOYSA-N
XLogP1.79
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561545
(1,1-dioxo-1,2-thiazolidin-2-yl)-(2-fluorophenyl)methanone
CID 47067856
4-(1,1-dioxothiazinan-2-yl)-3-fluorobenzoic acid
CID 116814448
1-(3-fluoro-4-pyrrol-1-ylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119257197
1-[(2S)-1-(3-fluoro-4-pyrrol-1-ylbenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 95973551
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
(1,1-dioxo-1,2-thiazolidin-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 75464349
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
(1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone
CID 171107818
3-fluoro-4-pyrrol-1-yl-N-(2H-tetrazol-5-yl)benzamide
CID 56826852
2,4-difluoro-5-pyrrol-1-ylbenzoic acid
CID 60828835
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 56530330

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone (CID 75532476) is (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)c(F)c1)N1CCCS1(=O)=O.
What is the InChIKey of (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone?
The InChIKey is UIDNSAGOYYWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-12-10-11(4-5-13(12)16-6-1-2-7-16)14(18)17-8-3-9-21(17,19)20/h1-2,4-7,10H,3,8-9H2.
What are the key properties of (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone?
(1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone has a molecular weight of 308.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,2-thiazolidin-2-yl)-(3-fluoro-4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 75532476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).