N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide

C18H14BrClN2O2S — CID 2130446

IUPACN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C18H14BrClN2O2S/c19-13-3-1-12(2-4-13)9-16-10-21-18(25-16)22-17(23)11-24-15-7-5-14(20)6-8-15/h1-8,10H,9,11H2,(H,21,22,23)
InChIKeyWZFJHENEJIXVFP-UHFFFAOYSA-N
MW437.75 g/mol
LogP5.17
Rot. Bonds6

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 2130446) has the molecular formula C18H14BrClN2O2S and a molecular weight of 437.75 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID2130446
Molecular FormulaC18H14BrClN2O2S
Molecular Weight437.75 g/mol
Exact Mass435.96
IUPAC NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C18H14BrClN2O2S/c19-13-3-1-12(2-4-13)9-16-10-21-18(25-16)22-17(23)11-24-15-7-5-14(20)6-8-15/h1-8,10H,9,11H2,(H,21,22,23)
InChIKeyWZFJHENEJIXVFP-UHFFFAOYSA-N
XLogP5.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.75
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 16813800
2-(4-bromophenoxy)-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 35524705
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1371006
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836241
2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836221
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 43055897
(E)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
CID 2063047
2-(4-phenylmethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836361

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide (CID 2130446) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is WZFJHENEJIXVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2S/c19-13-3-1-12(2-4-13)9-16-10-21-18(25-16)22-17(23)11-24-15-7-5-14(20)6-8-15/h1-8,10H,9,11H2,(H,21,22,23).
What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide?
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 437.75 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 2130446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).