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

C13H16N4O3S2 — CID 118741351

IUPACN-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)NCCc2cccnc2)s1
InChIInChI=1S/C13H16N4O3S2/c1-9-12(21-13(16-9)17-10(2)18)22(19,20)15-7-5-11-4-3-6-14-8-11/h3-4,6,8,15H,5,7H2,1-2H3,(H,16,17,18)
InChIKeyIWQJXXNZXQMRAE-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.33
Rot. Bonds6

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

N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 118741351) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide
PubChem CID118741351
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC NameN-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)NCCc2cccnc2)s1
InChIInChI=1S/C13H16N4O3S2/c1-9-12(21-13(16-9)17-10(2)18)22(19,20)15-7-5-11-4-3-6-14-8-11/h3-4,6,8,15H,5,7H2,1-2H3,(H,16,17,18)
InChIKeyIWQJXXNZXQMRAE-UHFFFAOYSA-N
XLogP1.33
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87281931
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945197
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
N-[5-[3-(1,2-benzothiazol-3-ylamino)propylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 57436405
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
5-amino-N-(2-pyridin-3-ylethyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383152
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide (CID 118741351) is N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)NCCc2cccnc2)s1.
What is the InChIKey of N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is IWQJXXNZXQMRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-9-12(21-13(16-9)17-10(2)18)22(19,20)15-7-5-11-4-3-6-14-8-11/h3-4,6,8,15H,5,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118741351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).