1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C18H20BrN3O2S — CID 55952035

IUPAC1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3C)CC2)n1
InChIInChI=1S/C18H20BrN3O2S/c1-11-9-14(19)3-4-15(11)17(24)22-7-5-13(6-8-22)16(23)21-18-20-12(2)10-25-18/h3-4,9-10,13H,5-8H2,1-2H3,(H,20,21,23)
InChIKeyHFZZQAIDUDBYDS-UHFFFAOYSA-N
MW422.35 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 55952035) has the molecular formula C18H20BrN3O2S and a molecular weight of 422.35 g/mol. Its IUPAC name is 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID55952035
Molecular FormulaC18H20BrN3O2S
Molecular Weight422.35 g/mol
Exact Mass421.05
IUPAC Name1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3C)CC2)n1
InChIInChI=1S/C18H20BrN3O2S/c1-11-9-14(19)3-4-15(11)17(24)22-7-5-13(6-8-22)16(23)21-18-20-12(2)10-25-18/h3-4,9-10,13H,5-8H2,1-2H3,(H,20,21,23)
InChIKeyHFZZQAIDUDBYDS-UHFFFAOYSA-N
XLogP4.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
1-(2-methyl-5-methylsulfonylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951244
1-[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55953967
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
CID 47067553
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
1-[3-(diethylsulfamoyl)-4-methylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951754
(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43630038
1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007
1-(2,4-diphenyl-1,3-thiazole-5-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951643
1-(1,3-diphenylpyrazole-4-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55950995

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 55952035) is 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3C)CC2)n1.
What is the InChIKey of 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is HFZZQAIDUDBYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2S/c1-11-9-14(19)3-4-15(11)17(24)22-7-5-13(6-8-22)16(23)21-18-20-12(2)10-25-18/h3-4,9-10,13H,5-8H2,1-2H3,(H,20,21,23).
What are the key properties of 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 422.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylbenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 55952035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).