ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate

C11H18N2O2S — CID 78993745

IUPACethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
SMILESCCOC(=O)CCN(C)Cc1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-4-15-11(14)5-6-13(3)7-10-12-9(2)8-16-10/h8H,4-7H2,1-3H3
InChIKeyHDSVARGTPBMOKE-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.84
Rot. Bonds6

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

ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate (PubChem CID 78993745) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
PubChem CID78993745
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
SMILESCCOC(=O)CCN(C)Cc1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-4-15-11(14)5-6-13(3)7-10-12-9(2)8-16-10/h8H,4-7H2,1-3H3
InChIKeyHDSVARGTPBMOKE-UHFFFAOYSA-N
XLogP1.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
CID 78993755
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
ethyl 3-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl-methylamino]propanoate
CID 62011847
ethyl 3-[methyl-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl]amino]propanoate
CID 62011842
4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol
CID 111427238
(4-methyl-1,3-thiazol-2-yl)methyl pentanoate
CID 70669978
3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanenitrile
CID 78993770
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
ethyl 2-[[3-hydroxypropyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 126802381
ethyl 2-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 67269937

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate (CID 78993745) is ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate is CCOC(=O)CCN(C)Cc1nc(C)cs1.
What is the InChIKey of ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate?
The InChIKey is HDSVARGTPBMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-15-11(14)5-6-13(3)7-10-12-9(2)8-16-10/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate?
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate has a molecular weight of 242.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate is sourced from PubChem (CID 78993745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).