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

C18H13Br3N2O2S — CID 19217332

IUPACN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
SMILESCc1sc(NC(=O)COc2ccc(Br)cc2Br)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H13Br3N2O2S/c1-10-17(11-2-4-12(19)5-3-11)23-18(26-10)22-16(24)9-25-15-7-6-13(20)8-14(15)21/h2-8H,9H2,1H3,(H,22,23,24)
InChIKeyKTQOPXMLMQHXIE-UHFFFAOYSA-N
MW561.09 g/mol
LogP6.42
Rot. Bonds5

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

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide (PubChem CID 19217332) has the molecular formula C18H13Br3N2O2S and a molecular weight of 561.09 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
PubChem CID19217332
Molecular FormulaC18H13Br3N2O2S
Molecular Weight561.09 g/mol
Exact Mass557.82
IUPAC NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
SMILESCc1sc(NC(=O)COc2ccc(Br)cc2Br)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H13Br3N2O2S/c1-10-17(11-2-4-12(19)5-3-11)23-18(26-10)22-16(24)9-25-15-7-6-13(20)8-14(15)21/h2-8H,9H2,1H3,(H,22,23,24)
InChIKeyKTQOPXMLMQHXIE-UHFFFAOYSA-N
XLogP6.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.09
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968
2-(2-bromo-4-ethylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202264
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039
2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19203132
2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202918
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
2-(2,4-dibromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 17477090
2-(4-bromo-3-methylphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172975
2-(2-bromo-4-phenylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 2195943
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide (CID 19217332) is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide is Cc1sc(NC(=O)COc2ccc(Br)cc2Br)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide?
The InChIKey is KTQOPXMLMQHXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br3N2O2S/c1-10-17(11-2-4-12(19)5-3-11)23-18(26-10)22-16(24)9-25-15-7-6-13(20)8-14(15)21/h2-8H,9H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide?
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide has a molecular weight of 561.09 g/mol, XLogP of 6.42, 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-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide is sourced from PubChem (CID 19217332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).