2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one

C16H17NO3S — CID 97098180

IUPAC2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one
SMILESCCC[C@@H]1SCCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H17NO3S/c1-2-5-15-17(8-9-21-15)16(19)14-10-12(18)11-6-3-4-7-13(11)20-14/h3-4,6-7,10,15H,2,5,8-9H2,1H3/t15-/m0/s1
InChIKeyXPVCALAXEIUKDI-HNNXBMFYSA-N
MW303.38 g/mol
LogP3.11
Rot. Bonds3

About 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one

2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one (PubChem CID 97098180) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one
PubChem CID97098180
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one
SMILESCCC[C@@H]1SCCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H17NO3S/c1-2-5-15-17(8-9-21-15)16(19)14-10-12(18)11-6-3-4-7-13(11)20-14/h3-4,6-7,10,15H,2,5,8-9H2,1H3/t15-/m0/s1
InChIKeyXPVCALAXEIUKDI-HNNXBMFYSA-N
XLogP3.11
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propyl-1,3-thiazolidine-3-carbonyl)chromen-4-one
CID 71875375
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43095251
1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid
CID 119137743
methyl (4R)-5-(4-oxochromene-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 97105143
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45180406
1-methyl-4-(2-propyl-1,3-thiazolidine-3-carbonyl)pyridin-2-one
CID 122140875
2-[(7R)-7-(2-chlorophenyl)-1,4-thiazepane-4-carbonyl]chromen-4-one
CID 124670847
2-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]chromen-4-one
CID 133131947

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one?
The IUPAC name of 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one (CID 97098180) is 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one?
The canonical SMILES for 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one is CCC[C@@H]1SCCN1C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one?
The InChIKey is XPVCALAXEIUKDI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-5-15-17(8-9-21-15)16(19)14-10-12(18)11-6-3-4-7-13(11)20-14/h3-4,6-7,10,15H,2,5,8-9H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one?
2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one has a molecular weight of 303.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one is sourced from PubChem (CID 97098180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).