methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate

C11H16ClN3O2S — CID 115536867

IUPACmethyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1nnc(Cl)s1)C1CCCC1
InChIInChI=1S/C11H16ClN3O2S/c1-17-10(16)7-15(8-4-2-3-5-8)6-9-13-14-11(12)18-9/h8H,2-7H2,1H3
InChIKeyDREYFYWOJPSUKZ-UHFFFAOYSA-N
MW289.79 g/mol
LogP2.11
Rot. Bonds5

About methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate

methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate (PubChem CID 115536867) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate
PubChem CID115536867
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Namemethyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate
SMILESCOC(=O)CN(Cc1nnc(Cl)s1)C1CCCC1
InChIInChI=1S/C11H16ClN3O2S/c1-17-10(16)7-15(8-4-2-3-5-8)6-9-13-14-11(12)18-9/h8H,2-7H2,1H3
InChIKeyDREYFYWOJPSUKZ-UHFFFAOYSA-N
XLogP2.11
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate (CID 115536867) is methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate is COC(=O)CN(Cc1nnc(Cl)s1)C1CCCC1.
What is the InChIKey of methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate?
The InChIKey is DREYFYWOJPSUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-17-10(16)7-15(8-4-2-3-5-8)6-9-13-14-11(12)18-9/h8H,2-7H2,1H3.
What are the key properties of methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate?
methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate has a molecular weight of 289.79 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate is sourced from PubChem (CID 115536867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).