ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate

C6H11N3O4S2 — CID 139033247

IUPACethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1CSC(NS(N)(=O)=O)=N1
InChIInChI=1S/C6H11N3O4S2/c1-2-13-5(10)4-3-14-6(8-4)9-15(7,11)12/h4H,2-3H2,1H3,(H,8,9)(H2,7,11,12)
InChIKeyJQTAIDJUEICDHW-UHFFFAOYSA-N
MW253.30 g/mol
LogP-1.19
Rot. Bonds3

About ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate

ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 139033247) has the molecular formula C6H11N3O4S2 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID139033247
Molecular FormulaC6H11N3O4S2
Molecular Weight253.30 g/mol
Exact Mass253.02
IUPAC Nameethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1CSC(NS(N)(=O)=O)=N1
InChIInChI=1S/C6H11N3O4S2/c1-2-13-5(10)4-3-14-6(8-4)9-15(7,11)12/h4H,2-3H2,1H3,(H,8,9)(H2,7,11,12)
InChIKeyJQTAIDJUEICDHW-UHFFFAOYSA-N
XLogP-1.19
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 139033247) is ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate is CCOC(=O)C1CSC(NS(N)(=O)=O)=N1.
What is the InChIKey of ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is JQTAIDJUEICDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4S2/c1-2-13-5(10)4-3-14-6(8-4)9-15(7,11)12/h4H,2-3H2,1H3,(H,8,9)(H2,7,11,12).
What are the key properties of ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate?
ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 139033247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).