ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate

C7H10N2O4S2 — CID 123468241

IUPACethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1cncs1
InChIInChI=1S/C7H10N2O4S2/c1-3-13-7(10)9(2)15(11,12)6-4-8-5-14-6/h4-5H,3H2,1-2H3
InChIKeyULGBFEFGDIZLCD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.92
Rot. Bonds3

About ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate

ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate (PubChem CID 123468241) has the molecular formula C7H10N2O4S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate
PubChem CID123468241
Molecular FormulaC7H10N2O4S2
Molecular Weight250.30 g/mol
Exact Mass250.01
IUPAC Nameethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate
SMILESCCOC(=O)N(C)S(=O)(=O)c1cncs1
InChIInChI=1S/C7H10N2O4S2/c1-3-13-7(10)9(2)15(11,12)6-4-8-5-14-6/h4-5H,3H2,1-2H3
InChIKeyULGBFEFGDIZLCD-UHFFFAOYSA-N
XLogP0.92
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate?
The IUPAC name of ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate (CID 123468241) is ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate is CCOC(=O)N(C)S(=O)(=O)c1cncs1.
What is the InChIKey of ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate?
The InChIKey is ULGBFEFGDIZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S2/c1-3-13-7(10)9(2)15(11,12)6-4-8-5-14-6/h4-5H,3H2,1-2H3.
What are the key properties of ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate?
ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate has a molecular weight of 250.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(1,3-thiazol-5-ylsulfonyl)carbamate is sourced from PubChem (CID 123468241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).