N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

C8H12N4O5S2 — CID 112674449

IUPACN-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)NOCC(N)=O)cs1
InChIInChI=1S/C8H12N4O5S2/c1-19(15,16)12-8-10-5(4-18-8)2-7(14)11-17-3-6(9)13/h4H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,11,14)
InChIKeyXYHCJRDRRXSZCL-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.41
Rot. Bonds7

About N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 112674449) has the molecular formula C8H12N4O5S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID112674449
Molecular FormulaC8H12N4O5S2
Molecular Weight308.34 g/mol
Exact Mass308.02
IUPAC NameN-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCS(=O)(=O)Nc1nc(CC(=O)NOCC(N)=O)cs1
InChIInChI=1S/C8H12N4O5S2/c1-19(15,16)12-8-10-5(4-18-8)2-7(14)11-17-3-6(9)13/h4H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,11,14)
InChIKeyXYHCJRDRRXSZCL-UHFFFAOYSA-N
XLogP-1.41
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
CID 65218128
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 25346591
N-(2-amino-2-oxoethoxy)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 112551146
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003397
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 41063797
N-[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]methanesulfonamide;hydrochloride
CID 87242893

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 112674449) is N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is CS(=O)(=O)Nc1nc(CC(=O)NOCC(N)=O)cs1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is XYHCJRDRRXSZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5S2/c1-19(15,16)12-8-10-5(4-18-8)2-7(14)11-17-3-6(9)13/h4H,2-3H2,1H3,(H2,9,13)(H,10,12)(H,11,14).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 308.34 g/mol, XLogP of -1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 112674449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).