ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate

C7H8FNO4S2 — CID 165460552

IUPACethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1S(=O)(=O)F
InChIInChI=1S/C7H8FNO4S2/c1-3-13-6(10)5-7(15(8,11)12)14-4(2)9-5/h3H2,1-2H3
InChIKeyXVQXKDJCPZHDMZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.29
Rot. Bonds3

About ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate

ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 165460552) has the molecular formula C7H8FNO4S2 and a molecular weight of 253.28 g/mol. Its IUPAC name is ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID165460552
Molecular FormulaC7H8FNO4S2
Molecular Weight253.28 g/mol
Exact Mass252.99
IUPAC Nameethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1S(=O)(=O)F
InChIInChI=1S/C7H8FNO4S2/c1-3-13-6(10)5-7(15(8,11)12)14-4(2)9-5/h3H2,1-2H3
InChIKeyXVQXKDJCPZHDMZ-UHFFFAOYSA-N
XLogP1.29
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate (CID 165460552) is ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1S(=O)(=O)F.
What is the InChIKey of ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is XVQXKDJCPZHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO4S2/c1-3-13-6(10)5-7(15(8,11)12)14-4(2)9-5/h3H2,1-2H3.
What are the key properties of ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate?
ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 253.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 165460552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).