ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate

C15H15N3O5S2 — CID 72719853

IUPACethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)Cc2noc3ccccc23)n1
InChIInChI=1S/C15H15N3O5S2/c1-2-22-14(19)7-10-8-24-15(16-10)18-25(20,21)9-12-11-5-3-4-6-13(11)23-17-12/h3-6,8H,2,7,9H2,1H3,(H,16,18)
InChIKeyMYPXFAFNZCBVDA-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.33
Rot. Bonds7

About ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 72719853) has the molecular formula C15H15N3O5S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID72719853
Molecular FormulaC15H15N3O5S2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC Nameethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)Cc2noc3ccccc23)n1
InChIInChI=1S/C15H15N3O5S2/c1-2-22-14(19)7-10-8-24-15(16-10)18-25(20,21)9-12-11-5-3-4-6-13(11)23-17-12/h3-6,8H,2,7,9H2,1H3,(H,16,18)
InChIKeyMYPXFAFNZCBVDA-UHFFFAOYSA-N
XLogP2.33
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 72719853) is ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)Cc2noc3ccccc23)n1.
What is the InChIKey of ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is MYPXFAFNZCBVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S2/c1-2-22-14(19)7-10-8-24-15(16-10)18-25(20,21)9-12-11-5-3-4-6-13(11)23-17-12/h3-6,8H,2,7,9H2,1H3,(H,16,18).
What are the key properties of ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 381.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 72719853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).