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

C19H14ClNO3S — CID 1206009

IUPAC3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H14ClNO3S/c20-14-6-3-5-13(10-14)18-21(8-9-25-18)17(22)15-11-12-4-1-2-7-16(12)24-19(15)23/h1-7,10-11,18H,8-9H2/t18-/m0/s1
InChIKeyLRWBFZDVJLAUIY-SFHVURJKSA-N
MW371.85 g/mol
LogP4.33
Rot. Bonds2

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

3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one (PubChem CID 1206009) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
PubChem CID1206009
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H14ClNO3S/c20-14-6-3-5-13(10-14)18-21(8-9-25-18)17(22)15-11-12-4-1-2-7-16(12)24-19(15)23/h1-7,10-11,18H,8-9H2/t18-/m0/s1
InChIKeyLRWBFZDVJLAUIY-SFHVURJKSA-N
XLogP4.33
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
CID 4589668
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7326995
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182
3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 8642896
1-[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 42781088
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 122331258
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one?
The IUPAC name of 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one (CID 1206009) is 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one.
What is the SMILES notation for 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one?
The canonical SMILES for 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1cccc(Cl)c1.
What is the InChIKey of 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one?
The InChIKey is LRWBFZDVJLAUIY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c20-14-6-3-5-13(10-14)18-21(8-9-25-18)17(22)15-11-12-4-1-2-7-16(12)24-19(15)23/h1-7,10-11,18H,8-9H2/t18-/m0/s1.
What are the key properties of 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one?
3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one has a molecular weight of 371.85 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one is sourced from PubChem (CID 1206009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).