2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one

C18H17ClF2N2OS — CID 3671325

IUPAC2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2Cc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C18H17ClF2N2OS/c1-22(2)13-4-5-14(15(19)8-13)18-23(17(24)10-25-18)9-11-7-12(20)3-6-16(11)21/h3-8,18H,9-10H2,1-2H3
InChIKeyPDVYTZPIXVCQSJ-UHFFFAOYSA-N
MW382.86 g/mol
LogP4.46
Rot. Bonds4

About 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one

2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3671325) has the molecular formula C18H17ClF2N2OS and a molecular weight of 382.86 g/mol. Its IUPAC name is 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3671325
Molecular FormulaC18H17ClF2N2OS
Molecular Weight382.86 g/mol
Exact Mass382.07
IUPAC Name2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2Cc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C18H17ClF2N2OS/c1-22(2)13-4-5-14(15(19)8-13)18-23(17(24)10-25-18)9-11-7-12(20)3-6-16(11)21/h3-8,18H,9-10H2,1-2H3
InChIKeyPDVYTZPIXVCQSJ-UHFFFAOYSA-N
XLogP4.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3671325) is 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one is CN(C)c1ccc(C2SCC(=O)N2Cc2cc(F)ccc2F)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is PDVYTZPIXVCQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2OS/c1-22(2)13-4-5-14(15(19)8-13)18-23(17(24)10-25-18)9-11-7-12(20)3-6-16(11)21/h3-8,18H,9-10H2,1-2H3.
What are the key properties of 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 382.86 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3671325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).