(3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

C19H18FNO3S — CID 86344193

IUPAC(3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)O)c1
InChIInChI=1S/C19H18FNO3S/c1-10-2-5-14(20)12(6-10)7-13-8-16(22)21-15(19(23)24)9-25-18(21)17(13)11-3-4-11/h2,5-6,8,11,15H,3-4,7,9H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyLYBDDFDZKIZSCE-HNNXBMFYSA-N
MW359.42 g/mol
LogP3.50
Rot. Bonds4

About (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

(3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (PubChem CID 86344193) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
PubChem CID86344193
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name(3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)O)c1
InChIInChI=1S/C19H18FNO3S/c1-10-2-5-14(20)12(6-10)7-13-8-16(22)21-15(19(23)24)9-25-18(21)17(13)11-3-4-11/h2,5-6,8,11,15H,3-4,7,9H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyLYBDDFDZKIZSCE-HNNXBMFYSA-N
XLogP3.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The IUPAC name of (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (CID 86344193) is (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is Cc1ccc(F)c(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)O)c1.
What is the InChIKey of (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The InChIKey is LYBDDFDZKIZSCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-10-2-5-14(20)12(6-10)7-13-8-16(22)21-15(19(23)24)9-25-18(21)17(13)11-3-4-11/h2,5-6,8,11,15H,3-4,7,9H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
(3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid has a molecular weight of 359.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-cyclopropyl-7-[(2-fluoro-5-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 86344193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).