methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate

C11H17N3O2S — CID 120901011

IUPACmethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)CC1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C11H17N3O2S/c1-16-10(15)5-8-3-2-4-14(8)7-9-6-13-11(12)17-9/h6,8H,2-5,7H2,1H3,(H2,12,13)
InChIKeyFFORHJRIXCUNMD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.25
Rot. Bonds4

About methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate

methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate (PubChem CID 120901011) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate
PubChem CID120901011
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate
SMILESCOC(=O)CC1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C11H17N3O2S/c1-16-10(15)5-8-3-2-4-14(8)7-9-6-13-11(12)17-9/h6,8H,2-5,7H2,1H3,(H2,12,13)
InChIKeyFFORHJRIXCUNMD-UHFFFAOYSA-N
XLogP1.25
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate (CID 120901011) is methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate is COC(=O)CC1CCCN1Cc1cnc(N)s1.
What is the InChIKey of methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate?
The InChIKey is FFORHJRIXCUNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-10(15)5-8-3-2-4-14(8)7-9-6-13-11(12)17-9/h6,8H,2-5,7H2,1H3,(H2,12,13).
What are the key properties of methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate?
methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate has a molecular weight of 255.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 120901011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).