methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate

C13H14N2O2S — CID 2418839

IUPACmethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-17-12(16)7-11-9-18-13(15-11)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyJCXZFBXQRLEYFX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.47
Rot. Bonds5

About methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2418839) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2418839
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-17-12(16)7-11-9-18-13(15-11)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyJCXZFBXQRLEYFX-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate (CID 2418839) is methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NCc2ccccc2)n1.
What is the InChIKey of methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is JCXZFBXQRLEYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-12(16)7-11-9-18-13(15-11)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15).
What are the key properties of methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 262.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2418839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).