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

C13H24N2O2S — CID 107154256

IUPACethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCCOC(=O)CCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C13H24N2O2S/c1-5-17-11(16)6-7-14-12-15-9-10(18-12)8-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyJKYDFASMKNYKJF-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.44
Rot. Bonds5

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

ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (PubChem CID 107154256) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
PubChem CID107154256
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Nameethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate
SMILESCCOC(=O)CCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C13H24N2O2S/c1-5-17-11(16)6-7-14-12-15-9-10(18-12)8-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyJKYDFASMKNYKJF-UHFFFAOYSA-N
XLogP2.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate with MolForge

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Related Compounds

N-[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 107153856
ethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
CID 115361499
5-(2,2-dimethylpropyl)-N-pentan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107153709
N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 106285105
ethyl 3-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80816508
ethyl 3-[[6-(dimethylamino)-3-pyridinyl]amino]propanoate
CID 82316783
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
ethyl 4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]butanoate
CID 106251005
ethyl 3-anilinopropanoate
CID 10910393
ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The IUPAC name of ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate (CID 107154256) is ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The canonical SMILES for ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is CCOC(=O)CCNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
The InChIKey is JKYDFASMKNYKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-5-17-11(16)6-7-14-12-15-9-10(18-12)8-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate?
ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate has a molecular weight of 272.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanoate is sourced from PubChem (CID 107154256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).