methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate

C9H15N3O4S2 — CID 80570296

IUPACmethyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCCNS(C)(=O)=O)nc1C
InChIInChI=1S/C9H15N3O4S2/c1-6-7(8(13)16-2)17-9(12-6)10-4-5-11-18(3,14)15/h11H,4-5H2,1-3H3,(H,10,12)
InChIKeyZEHVCZBHYFIASZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.20
Rot. Bonds6

About methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80570296) has the molecular formula C9H15N3O4S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80570296
Molecular FormulaC9H15N3O4S2
Molecular Weight293.37 g/mol
Exact Mass293.05
IUPAC Namemethyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCCNS(C)(=O)=O)nc1C
InChIInChI=1S/C9H15N3O4S2/c1-6-7(8(13)16-2)17-9(12-6)10-4-5-11-18(3,14)15/h11H,4-5H2,1-3H3,(H,10,12)
InChIKeyZEHVCZBHYFIASZ-UHFFFAOYSA-N
XLogP0.20
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.20
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 methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 80570296) is methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCCNS(C)(=O)=O)nc1C.
What is the InChIKey of methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZEHVCZBHYFIASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S2/c1-6-7(8(13)16-2)17-9(12-6)10-4-5-11-18(3,14)15/h11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).