methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate

C11H18N2O2S — CID 64993357

IUPACmethyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
SMILESCOC(=O)C(NC(C)c1nccs1)C(C)C
InChIInChI=1S/C11H18N2O2S/c1-7(2)9(11(14)15-4)13-8(3)10-12-5-6-16-10/h5-9,13H,1-4H3
InChIKeyPKJQAEHMNVYYQT-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.99
Rot. Bonds5

About methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate

methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate (PubChem CID 64993357) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
PubChem CID64993357
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
SMILESCOC(=O)C(NC(C)c1nccs1)C(C)C
InChIInChI=1S/C11H18N2O2S/c1-7(2)9(11(14)15-4)13-8(3)10-12-5-6-16-10/h5-9,13H,1-4H3
InChIKeyPKJQAEHMNVYYQT-UHFFFAOYSA-N
XLogP1.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115891943
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
methyl (2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butanoate
CID 61142605
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate (CID 64993357) is methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate is COC(=O)C(NC(C)c1nccs1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate?
The InChIKey is PKJQAEHMNVYYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)9(11(14)15-4)13-8(3)10-12-5-6-16-10/h5-9,13H,1-4H3.
What are the key properties of methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate?
methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate has a molecular weight of 242.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate is sourced from PubChem (CID 64993357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).