N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide

C17H12BrClN2O2S — CID 1326100

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H12BrClN2O2S/c18-12-3-1-11(2-4-12)15-10-24-17(20-15)21-16(22)9-23-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,20,21,22)
InChIKeyFFNROQHYDSGUKK-UHFFFAOYSA-N
MW423.72 g/mol
LogP5.24
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 1326100) has the molecular formula C17H12BrClN2O2S and a molecular weight of 423.72 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID1326100
Molecular FormulaC17H12BrClN2O2S
Molecular Weight423.72 g/mol
Exact Mass421.95
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H12BrClN2O2S/c18-12-3-1-11(2-4-12)15-10-24-17(20-15)21-16(22)9-23-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,20,21,22)
InChIKeyFFNROQHYDSGUKK-UHFFFAOYSA-N
XLogP5.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.72
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide (CID 1326100) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is FFNROQHYDSGUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O2S/c18-12-3-1-11(2-4-12)15-10-24-17(20-15)21-16(22)9-23-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 423.72 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 1326100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).