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

C10H13ClN2O4S2 — CID 61045017

IUPACethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H13ClN2O4S2/c1-2-17-8(14)6-13(7-3-4-7)19(15,16)9-5-12-10(11)18-9/h5,7H,2-4,6H2,1H3
InChIKeySNXJWRZQQOJXJN-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.51
Rot. Bonds6

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

ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate (PubChem CID 61045017) has the molecular formula C10H13ClN2O4S2 and a molecular weight of 324.81 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate
PubChem CID61045017
Molecular FormulaC10H13ClN2O4S2
Molecular Weight324.81 g/mol
Exact Mass324.00
IUPAC Nameethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C1CC1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H13ClN2O4S2/c1-2-17-8(14)6-13(7-3-4-7)19(15,16)9-5-12-10(11)18-9/h5,7H,2-4,6H2,1H3
InChIKeySNXJWRZQQOJXJN-UHFFFAOYSA-N
XLogP1.51
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate (CID 61045017) is ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate is CCOC(=O)CN(C1CC1)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate?
The InChIKey is SNXJWRZQQOJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S2/c1-2-17-8(14)6-13(7-3-4-7)19(15,16)9-5-12-10(11)18-9/h5,7H,2-4,6H2,1H3.
What are the key properties of ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate?
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-cyclopropylamino]acetate has a molecular weight of 324.81 g/mol, XLogP of 1.51, 6 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-cyclopropylamino]acetate is sourced from PubChem (CID 61045017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).