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

C18H21BrN2OS — CID 55363994

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1
InChIInChI=1S/C18H21BrN2OS/c1-12-5-7-15(8-6-12)20-17(22)10-16-11-23-18(21-16)13-3-2-4-14(19)9-13/h2-4,9,11-12,15H,5-8,10H2,1H3,(H,20,22)
InChIKeyXBTWZVVEAAWLMJ-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.81
Rot. Bonds4

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

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 55363994) has the molecular formula C18H21BrN2OS and a molecular weight of 393.35 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID55363994
Molecular FormulaC18H21BrN2OS
Molecular Weight393.35 g/mol
Exact Mass392.06
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1
InChIInChI=1S/C18H21BrN2OS/c1-12-5-7-15(8-6-12)20-17(22)10-16-11-23-18(21-16)13-3-2-4-14(19)9-13/h2-4,9,11-12,15H,5-8,10H2,1H3,(H,20,22)
InChIKeyXBTWZVVEAAWLMJ-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide
CID 119428386
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9489302
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119563341
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119604473
4-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 29135792
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide (CID 55363994) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CC1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is XBTWZVVEAAWLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2OS/c1-12-5-7-15(8-6-12)20-17(22)10-16-11-23-18(21-16)13-3-2-4-14(19)9-13/h2-4,9,11-12,15H,5-8,10H2,1H3,(H,20,22).
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 393.35 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 55363994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).