2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C20H26BrN3O4S — CID 108767931

IUPAC2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ncc(CN3CCCCC3C)s2)c(Br)c(OC)c1OC
InChIInChI=1S/C20H26BrN3O4S/c1-12-7-5-6-8-24(12)11-13-10-22-20(29-13)23-19(25)14-9-15(26-2)17(27-3)18(28-4)16(14)21/h9-10,12H,5-8,11H2,1-4H3,(H,22,23,25)
InChIKeyFHFNWZXWASIXDR-UHFFFAOYSA-N
MW484.42 g/mol
LogP4.56
Rot. Bonds7

About 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 108767931) has the molecular formula C20H26BrN3O4S and a molecular weight of 484.42 g/mol. Its IUPAC name is 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID108767931
Molecular FormulaC20H26BrN3O4S
Molecular Weight484.42 g/mol
Exact Mass483.08
IUPAC Name2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ncc(CN3CCCCC3C)s2)c(Br)c(OC)c1OC
InChIInChI=1S/C20H26BrN3O4S/c1-12-7-5-6-8-24(12)11-13-10-22-20(29-13)23-19(25)14-9-15(26-2)17(27-3)18(28-4)16(14)21/h9-10,12H,5-8,11H2,1-4H3,(H,22,23,25)
InChIKeyFHFNWZXWASIXDR-UHFFFAOYSA-N
XLogP4.56
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108768000
4-(1,3-dioxoisoindol-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767940
7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799662
2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1120126
4-(6-methyl-4-oxochromen-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108803161
2-(2-chlorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108767954

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 108767931) is 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is COc1cc(C(=O)Nc2ncc(CN3CCCCC3C)s2)c(Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is FHFNWZXWASIXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O4S/c1-12-7-5-6-8-24(12)11-13-10-22-20(29-13)23-19(25)14-9-15(26-2)17(27-3)18(28-4)16(14)21/h9-10,12H,5-8,11H2,1-4H3,(H,22,23,25).
What are the key properties of 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 484.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 108767931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).