2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide

C18H14Cl2N2O3S — CID 1323841

IUPAC2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc(OCc2ccccc2)cs1
InChIInChI=1S/C18H14Cl2N2O3S/c19-13-6-7-15(14(20)8-13)24-10-16(23)21-18-22-17(11-26-18)25-9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,21,22,23)
InChIKeyXYFCQTNCMHZRIL-UHFFFAOYSA-N
MW409.29 g/mol
LogP5.05
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide (PubChem CID 1323841) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide
PubChem CID1323841
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1nc(OCc2ccccc2)cs1
InChIInChI=1S/C18H14Cl2N2O3S/c19-13-6-7-15(14(20)8-13)24-10-16(23)21-18-22-17(11-26-18)25-9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,21,22,23)
InChIKeyXYFCQTNCMHZRIL-UHFFFAOYSA-N
XLogP5.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 4611500
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 165342796
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178578
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 28913291
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,4-dichlorophenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114260
2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 42387652

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide (CID 1323841) is 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1nc(OCc2ccccc2)cs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide?
The InChIKey is XYFCQTNCMHZRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c19-13-6-7-15(14(20)8-13)24-10-16(23)21-18-22-17(11-26-18)25-9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,21,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide has a molecular weight of 409.29 g/mol, XLogP of 5.05, 7 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-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1323841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).