1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one

C18H17Cl2NOS — CID 4601348

IUPAC1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NOS/c19-14-7-8-15(16(20)12-14)18-21(10-11-23-18)17(22)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,18H,6,9-11H2
InChIKeyMUSKMWKIFBFGSR-UHFFFAOYSA-N
MW366.31 g/mol
LogP5.20
Rot. Bonds4

About 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one

1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one (PubChem CID 4601348) has the molecular formula C18H17Cl2NOS and a molecular weight of 366.31 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
PubChem CID4601348
Molecular FormulaC18H17Cl2NOS
Molecular Weight366.31 g/mol
Exact Mass365.04
IUPAC Name1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2NOS/c19-14-7-8-15(16(20)12-14)18-21(10-11-23-18)17(22)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,18H,6,9-11H2
InChIKeyMUSKMWKIFBFGSR-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.31
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenyl)-1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122331128
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-methoxyethanone
CID 4127667
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
3-phenyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330600
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7236837
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 46125544
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 5226624
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(2,4-difluorophenyl)ethanone
CID 122331063
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-(1-methylindol-3-yl)ethanone
CID 122331088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one (CID 4601348) is 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is MUSKMWKIFBFGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NOS/c19-14-7-8-15(16(20)12-14)18-21(10-11-23-18)17(22)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,18H,6,9-11H2.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one?
1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 366.31 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 4601348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).