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

C10H15ClN2O5S2 — CID 61046504

IUPACethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O5S2/c1-3-18-8(14)7-13(4-5-17-2)20(15,16)9-6-12-10(11)19-9/h6H,3-5,7H2,1-2H3
InChIKeyVNRUTRILESMIOR-UHFFFAOYSA-N
MW342.83 g/mol
LogP1.00
Rot. Bonds8

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

ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate (PubChem CID 61046504) has the molecular formula C10H15ClN2O5S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate
PubChem CID61046504
Molecular FormulaC10H15ClN2O5S2
Molecular Weight342.83 g/mol
Exact Mass342.01
IUPAC Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H15ClN2O5S2/c1-3-18-8(14)7-13(4-5-17-2)20(15,16)9-6-12-10(11)19-9/h6H,3-5,7H2,1-2H3
InChIKeyVNRUTRILESMIOR-UHFFFAOYSA-N
XLogP1.00
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate (CID 61046504) is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate?
The InChIKey is VNRUTRILESMIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O5S2/c1-3-18-8(14)7-13(4-5-17-2)20(15,16)9-6-12-10(11)19-9/h6H,3-5,7H2,1-2H3.
What are the key properties of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate?
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate has a molecular weight of 342.83 g/mol, XLogP of 1.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 61046504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).