2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid

C11H17N3O5S2 — CID 65218128

IUPAC2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)Cc1csc(NS(C)(=O)=O)n1)C(=O)O
InChIInChI=1S/C11H17N3O5S2/c1-3-7(10(16)17)5-12-9(15)4-8-6-20-11(13-8)14-21(2,18)19/h6-7H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyICAVEZORBYMTLO-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.28
Rot. Bonds8

About 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid

2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid (PubChem CID 65218128) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
PubChem CID65218128
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC Name2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)Cc1csc(NS(C)(=O)=O)n1)C(=O)O
InChIInChI=1S/C11H17N3O5S2/c1-3-7(10(16)17)5-12-9(15)4-8-6-20-11(13-8)14-21(2,18)19/h6-7H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyICAVEZORBYMTLO-UHFFFAOYSA-N
XLogP0.28
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid with MolForge

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Related Compounds

N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 66170440
N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 51931287
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003397
N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253619
2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 25346591

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid (CID 65218128) is 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid is CCC(CNC(=O)Cc1csc(NS(C)(=O)=O)n1)C(=O)O.
What is the InChIKey of 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid?
The InChIKey is ICAVEZORBYMTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-3-7(10(16)17)5-12-9(15)4-8-6-20-11(13-8)14-21(2,18)19/h6-7H,3-5H2,1-2H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid?
2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid has a molecular weight of 335.41 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65218128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).