2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide

C24H26ClF3N4O2S — CID 20815272

IUPAC2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCCCn1c(-c2ccc(OC(F)(F)F)cc2)cs/c1=N\Cc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClF3N4O2S/c1-2-30-22(33)15-29-12-3-13-32-21(18-6-10-20(11-7-18)34-24(26,27)28)16-35-23(32)31-14-17-4-8-19(25)9-5-17/h4-11,16,29H,2-3,12-15H2,1H3,(H,30,33)/b31-23-
InChIKeyAOJFYHYLWQSDPM-SXBRIOAWSA-N
MW527.01 g/mol
LogP4.99
Rot. Bonds11

About 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide

2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide (PubChem CID 20815272) has the molecular formula C24H26ClF3N4O2S and a molecular weight of 527.01 g/mol. Its IUPAC name is 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide
PubChem CID20815272
Molecular FormulaC24H26ClF3N4O2S
Molecular Weight527.01 g/mol
Exact Mass526.14
IUPAC Name2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCCCn1c(-c2ccc(OC(F)(F)F)cc2)cs/c1=N\Cc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClF3N4O2S/c1-2-30-22(33)15-29-12-3-13-32-21(18-6-10-20(11-7-18)34-24(26,27)28)16-35-23(32)31-14-17-4-8-19(25)9-5-17/h4-11,16,29H,2-3,12-15H2,1H3,(H,30,33)/b31-23-
InChIKeyAOJFYHYLWQSDPM-SXBRIOAWSA-N
XLogP4.99
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.01
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide?
The IUPAC name of 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide (CID 20815272) is 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide?
The canonical SMILES for 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide is CCNC(=O)CNCCCn1c(-c2ccc(OC(F)(F)F)cc2)cs/c1=N\Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide?
The InChIKey is AOJFYHYLWQSDPM-SXBRIOAWSA-N. The full InChI is InChI=1S/C24H26ClF3N4O2S/c1-2-30-22(33)15-29-12-3-13-32-21(18-6-10-20(11-7-18)34-24(26,27)28)16-35-23(32)31-14-17-4-8-19(25)9-5-17/h4-11,16,29H,2-3,12-15H2,1H3,(H,30,33)/b31-23-.
What are the key properties of 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide?
2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide has a molecular weight of 527.01 g/mol, XLogP of 4.99, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-N-ethylacetamide is sourced from PubChem (CID 20815272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).