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

C18H14BrClN2O2S — CID 1183680

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1Cl
InChIInChI=1S/C18H14BrClN2O2S/c1-11-8-14(6-7-15(11)20)24-9-17(23)22-18-21-16(10-25-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyZRBQPCLSYORFQR-UHFFFAOYSA-N
MW437.75 g/mol
LogP5.55
Rot. Bonds5

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 1183680) has the molecular formula C18H14BrClN2O2S and a molecular weight of 437.75 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID1183680
Molecular FormulaC18H14BrClN2O2S
Molecular Weight437.75 g/mol
Exact Mass435.96
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1Cl
InChIInChI=1S/C18H14BrClN2O2S/c1-11-8-14(6-7-15(11)20)24-9-17(23)22-18-21-16(10-25-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyZRBQPCLSYORFQR-UHFFFAOYSA-N
XLogP5.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.75
LogP ≤ 55.55
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-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide (CID 1183680) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1Cl.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is ZRBQPCLSYORFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2S/c1-11-8-14(6-7-15(11)20)24-9-17(23)22-18-21-16(10-25-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 437.75 g/mol, XLogP of 5.55, 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-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 1183680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).