(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one

C25H24ClF2N3O2S — CID 57398959

IUPAC(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)c(=Cc2ccc(F)cc2F)s/c1=C1\C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C25H24ClF2N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(12-15-6-8-17(27)14-19(15)28)34-25(31)22-18-13-16(26)7-9-20(18)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-12?,25-22-
InChIKeyDSKVLZFJNOKWAP-HYNWXPDNSA-N
MW504.00 g/mol
LogP3.55
Rot. Bonds7

About (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one

(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 57398959) has the molecular formula C25H24ClF2N3O2S and a molecular weight of 504.00 g/mol. Its IUPAC name is (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID57398959
Molecular FormulaC25H24ClF2N3O2S
Molecular Weight504.00 g/mol
Exact Mass503.12
IUPAC Name(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCn1c(=O)c(=Cc2ccc(F)cc2F)s/c1=C1\C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C25H24ClF2N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(12-15-6-8-17(27)14-19(15)28)34-25(31)22-18-13-16(26)7-9-20(18)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-12?,25-22-
InChIKeyDSKVLZFJNOKWAP-HYNWXPDNSA-N
XLogP3.55
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.00
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 57398959) is (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one is CCN(CC)CCCn1c(=O)c(=Cc2ccc(F)cc2F)s/c1=C1\C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DSKVLZFJNOKWAP-HYNWXPDNSA-N. The full InChI is InChI=1S/C25H24ClF2N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(12-15-6-8-17(27)14-19(15)28)34-25(31)22-18-13-16(26)7-9-20(18)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-12?,25-22-.
What are the key properties of (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 504.00 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(2,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 57398959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).