methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate

C14H24N2O2S — CID 43774765

IUPACmethyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C14H24N2O2S/c1-9(15-8-7-11(17)18-6)12-10(2)16-13(19-12)14(3,4)5/h9,15H,7-8H2,1-6H3
InChIKeyKPXLWZVYYFFNLO-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.96
Rot. Bonds5

About methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate

methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate (PubChem CID 43774765) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
PubChem CID43774765
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Namemethyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C14H24N2O2S/c1-9(15-8-7-11(17)18-6)12-10(2)16-13(19-12)14(3,4)5/h9,15H,7-8H2,1-6H3
InChIKeyKPXLWZVYYFFNLO-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 47317384
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491347
N-methyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 103150100
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 103150101
N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 103150102
N-[1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 103150103
N-[1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 103150104
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 113781117
2-[[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 113792922

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate (CID 43774765) is methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate is COC(=O)CCNC(C)c1sc(C(C)(C)C)nc1C.
What is the InChIKey of methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The InChIKey is KPXLWZVYYFFNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-9(15-8-7-11(17)18-6)12-10(2)16-13(19-12)14(3,4)5/h9,15H,7-8H2,1-6H3.
What are the key properties of methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate has a molecular weight of 284.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate is sourced from PubChem (CID 43774765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).