ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate

C11H18N2O2S — CID 64662480

IUPACethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(C)Cc1cscn1
InChIInChI=1S/C11H18N2O2S/c1-4-10(11(14)15-5-2)13(3)6-9-7-16-8-12-9/h7-8,10H,4-6H2,1-3H3
InChIKeyUCYKXRZAHNPMET-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.92
Rot. Bonds6

About ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate

ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate (PubChem CID 64662480) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
PubChem CID64662480
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(C)Cc1cscn1
InChIInChI=1S/C11H18N2O2S/c1-4-10(11(14)15-5-2)13(3)6-9-7-16-8-12-9/h7-8,10H,4-6H2,1-3H3
InChIKeyUCYKXRZAHNPMET-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(1,3-thiazol-4-ylmethyl)amino]-1-phenylbutan-1-one
CID 62053006
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
2-hydroxyethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 79349772
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)nonane-1,2-diamine
CID 55013958
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328
ethyl 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]acetate
CID 78925765

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate?
The IUPAC name of ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate (CID 64662480) is ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate?
The canonical SMILES for ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate is CCOC(=O)C(CC)N(C)Cc1cscn1.
What is the InChIKey of ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate?
The InChIKey is UCYKXRZAHNPMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-10(11(14)15-5-2)13(3)6-9-7-16-8-12-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate?
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate has a molecular weight of 242.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate is sourced from PubChem (CID 64662480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).