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

C11H20N2O2S — CID 107154044

IUPACmethyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCOC(=O)CCNC1=NCC(CC(C)C)S1
InChIInChI=1S/C11H20N2O2S/c1-8(2)6-9-7-13-11(16-9)12-5-4-10(14)15-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyZQBPVYDCHNYRTE-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.66
Rot. Bonds5

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

methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (PubChem CID 107154044) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
PubChem CID107154044
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Namemethyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCOC(=O)CCNC1=NCC(CC(C)C)S1
InChIInChI=1S/C11H20N2O2S/c1-8(2)6-9-7-13-11(16-9)12-5-4-10(14)15-3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyZQBPVYDCHNYRTE-UHFFFAOYSA-N
XLogP1.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (CID 107154044) is methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is COC(=O)CCNC1=NCC(CC(C)C)S1.
What is the InChIKey of methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The InChIKey is ZQBPVYDCHNYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(2)6-9-7-13-11(16-9)12-5-4-10(14)15-3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate has a molecular weight of 244.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is sourced from PubChem (CID 107154044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).