ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate

C8H11ClN2O4S2 — CID 54969412

IUPACethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H11ClN2O4S2/c1-3-15-6(12)5-11(2)17(13,14)7-4-10-8(9)16-7/h4H,3,5H2,1-2H3
InChIKeyLWULKUONGUEMDN-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.98
Rot. Bonds5

About ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate

ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (PubChem CID 54969412) has the molecular formula C8H11ClN2O4S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
PubChem CID54969412
Molecular FormulaC8H11ClN2O4S2
Molecular Weight298.77 g/mol
Exact Mass297.98
IUPAC Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
SMILESCCOC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H11ClN2O4S2/c1-3-15-6(12)5-11(2)17(13,14)7-4-10-8(9)16-7/h4H,3,5H2,1-2H3
InChIKeyLWULKUONGUEMDN-UHFFFAOYSA-N
XLogP0.98
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 103815343
methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 103853917
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
CID 43455931
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonyl-methylamino]acetate
CID 55007949
2-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-sulfonamide
CID 61042544
2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051360
ethyl 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonyl-methylamino]acetate;ethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]acetate
CID 160881864
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046163
2-chloro-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 61422711

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate (CID 54969412) is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is CCOC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
The InChIKey is LWULKUONGUEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S2/c1-3-15-6(12)5-11(2)17(13,14)7-4-10-8(9)16-7/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate?
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate has a molecular weight of 298.77 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 54969412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).