ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate

C11H18N2O2S — CID 61372216

IUPACethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
SMILESCCOC(=O)CCN(C)Cc1cnc(C)s1
InChIInChI=1S/C11H18N2O2S/c1-4-15-11(14)5-6-13(3)8-10-7-12-9(2)16-10/h7H,4-6,8H2,1-3H3
InChIKeyAJVZTWLSSLIUFZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.84
Rot. Bonds6

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

ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate (PubChem CID 61372216) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
PubChem CID61372216
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
SMILESCCOC(=O)CCN(C)Cc1cnc(C)s1
InChIInChI=1S/C11H18N2O2S/c1-4-15-11(14)5-6-13(3)8-10-7-12-9(2)16-10/h7H,4-6,8H2,1-3H3
InChIKeyAJVZTWLSSLIUFZ-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

methyl 4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]butanoate
CID 62045674
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
2-hydroxyethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 79346230
ethyl 3-[(5-chloropyrazin-2-yl)methyl-methylamino]propanoate
CID 103055315
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
3-[(2-methyl-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propanoic acid
CID 63019605
2,2,2-trifluoroethyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 61067669
2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid
CID 63021521
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 60949049
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 62489621
2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride
CID 119859279

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate (CID 61372216) is ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate is CCOC(=O)CCN(C)Cc1cnc(C)s1.
What is the InChIKey of ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate?
The InChIKey is AJVZTWLSSLIUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-15-11(14)5-6-13(3)8-10-7-12-9(2)16-10/h7H,4-6,8H2,1-3H3.
What are the key properties of ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate?
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-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-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate is sourced from PubChem (CID 61372216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).