3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide

C19H16Cl2N2O2S — CID 91813951

IUPAC3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C19H16Cl2N2O2S/c20-15-5-3-14(17(21)11-15)4-8-18(24)23-12-13-1-6-16(7-2-13)25-19-22-9-10-26-19/h1-3,5-7,9-11H,4,8,12H2,(H,23,24)
InChIKeyPZAZVQVCCPMOQL-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.49
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide

3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide (PubChem CID 91813951) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide
PubChem CID91813951
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C19H16Cl2N2O2S/c20-15-5-3-14(17(21)11-15)4-8-18(24)23-12-13-1-6-16(7-2-13)25-19-22-9-10-26-19/h1-3,5-7,9-11H,4,8,12H2,(H,23,24)
InChIKeyPZAZVQVCCPMOQL-UHFFFAOYSA-N
XLogP5.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide (CID 91813951) is 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide is O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(Oc2nccs2)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide?
The InChIKey is PZAZVQVCCPMOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c20-15-5-3-14(17(21)11-15)4-8-18(24)23-12-13-1-6-16(7-2-13)25-19-22-9-10-26-19/h1-3,5-7,9-11H,4,8,12H2,(H,23,24).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide?
3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide has a molecular weight of 407.32 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]propanamide is sourced from PubChem (CID 91813951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).