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

C21H25N5O3S3 — CID 108802091

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)s1
InChIInChI=1S/C21H25N5O3S3/c1-15-7-5-6-10-26(15)13-17-12-22-20(31-17)24-19(27)11-16-14-30-21(23-16)25-32(28,29)18-8-3-2-4-9-18/h2-4,8-9,12,14-15H,5-7,10-11,13H2,1H3,(H,23,25)(H,22,24,27)
InChIKeyXKEHOOUBLBHGJT-UHFFFAOYSA-N
MW491.66 g/mol
LogP3.96
Rot. Bonds8

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

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 108802091) has the molecular formula C21H25N5O3S3 and a molecular weight of 491.66 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID108802091
Molecular FormulaC21H25N5O3S3
Molecular Weight491.66 g/mol
Exact Mass491.11
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)s1
InChIInChI=1S/C21H25N5O3S3/c1-15-7-5-6-10-26(15)13-17-12-22-20(31-17)24-19(27)11-16-14-30-21(23-16)25-32(28,29)18-8-3-2-4-9-18/h2-4,8-9,12,14-15H,5-7,10-11,13H2,1H3,(H,23,25)(H,22,24,27)
InChIKeyXKEHOOUBLBHGJT-UHFFFAOYSA-N
XLogP3.96
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 108783704
N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 108783696
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 11223125
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108800608
2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108767952
4-(1,3-dioxoisoindol-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767940

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 108802091) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC1CCCCN1Cc1cnc(NC(=O)Cc2csc(NS(=O)(=O)c3ccccc3)n2)s1.
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XKEHOOUBLBHGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S3/c1-15-7-5-6-10-26(15)13-17-12-22-20(31-17)24-19(27)11-16-14-30-21(23-16)25-32(28,29)18-8-3-2-4-9-18/h2-4,8-9,12,14-15H,5-7,10-11,13H2,1H3,(H,23,25)(H,22,24,27).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 491.66 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108802091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).