(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

C10H11FN2OS — CID 122331820

IUPAC(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1ccncc1F
InChIInChI=1S/C10H11FN2OS/c1-7-13(4-5-15-7)10(14)8-2-3-12-6-9(8)11/h2-3,6-7H,4-5H2,1H3
InChIKeyMLHMZTZXZSRAKT-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.76
Rot. Bonds1

About (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone

(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (PubChem CID 122331820) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
PubChem CID122331820
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
SMILESCC1SCCN1C(=O)c1ccncc1F
InChIInChI=1S/C10H11FN2OS/c1-7-13(4-5-15-7)10(14)8-2-3-12-6-9(8)11/h2-3,6-7H,4-5H2,1H3
InChIKeyMLHMZTZXZSRAKT-UHFFFAOYSA-N
XLogP1.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122329440
4-(3-fluoropyridine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82901483
(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 105072517
(3,4-difluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331652
(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 164642836
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115646200
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 79994306

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone (CID 122331820) is (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is CC1SCCN1C(=O)c1ccncc1F.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is MLHMZTZXZSRAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c1-7-13(4-5-15-7)10(14)8-2-3-12-6-9(8)11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone?
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 226.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122331820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).