2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide

C23H17Cl2N3O2S — CID 108748409

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C23H17Cl2N3O2S/c1-14(30-21-9-8-16(24)12-18(21)25)22(29)27-17-6-4-5-15(11-17)20-13-31-23(28-20)19-7-2-3-10-26-19/h2-14H,1H3,(H,27,29)
InChIKeyNWTNMOWOWVHBIG-UHFFFAOYSA-N
MW470.38 g/mol
LogP6.58
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide

2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 108748409) has the molecular formula C23H17Cl2N3O2S and a molecular weight of 470.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID108748409
Molecular FormulaC23H17Cl2N3O2S
Molecular Weight470.38 g/mol
Exact Mass469.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C23H17Cl2N3O2S/c1-14(30-21-9-8-16(24)12-18(21)25)22(29)27-17-6-4-5-15(11-17)20-13-31-23(28-20)19-7-2-3-10-26-19/h2-14H,1H3,(H,27,29)
InChIKeyNWTNMOWOWVHBIG-UHFFFAOYSA-N
XLogP6.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.38
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817441
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 121148583
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770444
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
2-(2-methylphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108748467
2-(2,4-dichlorophenoxy)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82253139

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide (CID 108748409) is 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2csc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is NWTNMOWOWVHBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2S/c1-14(30-21-9-8-16(24)12-18(21)25)22(29)27-17-6-4-5-15(11-17)20-13-31-23(28-20)19-7-2-3-10-26-19/h2-14H,1H3,(H,27,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 470.38 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 108748409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).