2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate

C8H13N3O4S2 — CID 174649390

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C8H13N3O4S2/c1-5-7(16-8(9)11-5)17(13,14)10-3-4-15-6(2)12/h10H,3-4H2,1-2H3,(H2,9,11)
InChIKeyMKLUEPAOJCTLIG-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.12
Rot. Bonds5

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate (PubChem CID 174649390) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate
PubChem CID174649390
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate
SMILESCC(=O)OCCNS(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C8H13N3O4S2/c1-5-7(16-8(9)11-5)17(13,14)10-3-4-15-6(2)12/h10H,3-4H2,1-2H3,(H2,9,11)
InChIKeyMKLUEPAOJCTLIG-UHFFFAOYSA-N
XLogP-0.12
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate (CID 174649390) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate is CC(=O)OCCNS(=O)(=O)c1sc(N)nc1C.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate?
The InChIKey is MKLUEPAOJCTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-5-7(16-8(9)11-5)17(13,14)10-3-4-15-6(2)12/h10H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate has a molecular weight of 279.34 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate is sourced from PubChem (CID 174649390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).