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

C8H14N4O4S2 — CID 87281931

IUPACN-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)NCCON)s1
InChIInChI=1S/C8H14N4O4S2/c1-5-7(17-8(11-5)12-6(2)13)18(14,15)10-3-4-16-9/h10H,3-4,9H2,1-2H3,(H,11,12,13)
InChIKeyMFICNMPFGFPORS-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.42
Rot. Bonds6

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

N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87281931) has the molecular formula C8H14N4O4S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID87281931
Molecular FormulaC8H14N4O4S2
Molecular Weight294.36 g/mol
Exact Mass294.05
IUPAC NameN-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)NCCON)s1
InChIInChI=1S/C8H14N4O4S2/c1-5-7(17-8(11-5)12-6(2)13)18(14,15)10-3-4-16-9/h10H,3-4,9H2,1-2H3,(H,11,12,13)
InChIKeyMFICNMPFGFPORS-UHFFFAOYSA-N
XLogP-0.42
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 118741351
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate
CID 174649390
2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174820406
N-[5-[3-(1,2-benzothiazol-3-ylamino)propylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 57436405
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
CID 83210333
N-[4-methyl-5-[(4-methylpiperazin-1-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 86607109
N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87061286
N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193287
3-[2-[2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenoxy]ethoxy]phenyl]propanoic acid
CID 87541290
N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 170974434
4-[3-[2-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]propyl]benzoic acid
CID 87541248
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 87281931) is N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)NCCON)s1.
What is the InChIKey of N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is MFICNMPFGFPORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S2/c1-5-7(17-8(11-5)12-6(2)13)18(14,15)10-3-4-16-9/h10H,3-4,9H2,1-2H3,(H,11,12,13).
What are the key properties of N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 294.36 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87281931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).