methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate

C11H20N2O2S — CID 107153839

IUPACmethyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate
SMILESCOC(=O)CNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C11H20N2O2S/c1-11(2,3)5-8-6-12-10(16-8)13-7-9(14)15-4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeySCJVYCSUYNGRGE-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds3

About methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate

methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate (PubChem CID 107153839) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate
PubChem CID107153839
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Namemethyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate
SMILESCOC(=O)CNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C11H20N2O2S/c1-11(2,3)5-8-6-12-10(16-8)13-7-9(14)15-4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeySCJVYCSUYNGRGE-UHFFFAOYSA-N
XLogP1.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate (CID 107153839) is methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate is COC(=O)CNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate?
The InChIKey is SCJVYCSUYNGRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(2,3)5-8-6-12-10(16-8)13-7-9(14)15-4/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate?
methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate has a molecular weight of 244.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]acetate is sourced from PubChem (CID 107153839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).