N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide

C18H14BrClN2OS — CID 19226447

IUPACN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
SMILESCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H14BrClN2OS/c1-2-15-16(11-3-7-13(19)8-4-11)21-18(24-15)22-17(23)12-5-9-14(20)10-6-12/h3-10H,2H2,1H3,(H,21,22,23)
InChIKeyOQFXUMGXDBFHSA-UHFFFAOYSA-N
MW421.75 g/mol
LogP6.04
Rot. Bonds4

About N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide

N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide (PubChem CID 19226447) has the molecular formula C18H14BrClN2OS and a molecular weight of 421.75 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
PubChem CID19226447
Molecular FormulaC18H14BrClN2OS
Molecular Weight421.75 g/mol
Exact Mass419.97
IUPAC NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
SMILESCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H14BrClN2OS/c1-2-15-16(11-3-7-13(19)8-4-11)21-18(24-15)22-17(23)12-5-9-14(20)10-6-12/h3-10H,2H2,1H3,(H,21,22,23)
InChIKeyOQFXUMGXDBFHSA-UHFFFAOYSA-N
XLogP6.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.75
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide
CID 19226732
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227
N-[4-(4-bromophenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1282398
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19229469
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-chlorophenoxy)acetamide
CID 19227755
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19226363
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2276030
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
2-[[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid
CID 174648570
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4284156

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide (CID 19226447) is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide is CCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide?
The InChIKey is OQFXUMGXDBFHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2OS/c1-2-15-16(11-3-7-13(19)8-4-11)21-18(24-15)22-17(23)12-5-9-14(20)10-6-12/h3-10H,2H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide?
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide has a molecular weight of 421.75 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 19226447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).