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

C19H17BrN2O2S — CID 19226508

IUPACN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O2S/c1-3-16-17(12-8-10-13(20)11-9-12)21-19(25-16)22-18(23)14-6-4-5-7-15(14)24-2/h4-11H,3H2,1-2H3,(H,21,22,23)
InChIKeyJCPCIOWXFSLOBN-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.40
Rot. Bonds5

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

N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 19226508) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID19226508
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC NameN-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O2S/c1-3-16-17(12-8-10-13(20)11-9-12)21-19(25-16)22-18(23)14-6-4-5-7-15(14)24-2/h4-11H,3H2,1-2H3,(H,21,22,23)
InChIKeyJCPCIOWXFSLOBN-UHFFFAOYSA-N
XLogP5.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 19226447
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19226363
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-8-methoxy-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3143765
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 24524419
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 19227971
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19229469
(E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-3-(2-butoxyphenyl)prop-2-enamide
CID 19228648
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19228364
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide
CID 19226732
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 19211321

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 19226508) is N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide is CCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is JCPCIOWXFSLOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-3-16-17(12-8-10-13(20)11-9-12)21-19(25-16)22-18(23)14-6-4-5-7-15(14)24-2/h4-11H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 417.33 g/mol, XLogP of 5.40, 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)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 19226508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).