methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate

C11H18N2O2S — CID 60941784

IUPACmethyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
SMILESCOC(=O)C(NCc1cnc(C)s1)C(C)C
InChIInChI=1S/C11H18N2O2S/c1-7(2)10(11(14)15-4)13-6-9-5-12-8(3)16-9/h5,7,10,13H,6H2,1-4H3
InChIKeyAQOGINWWISXUHY-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.74
Rot. Bonds5

About methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate

methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate (PubChem CID 60941784) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
PubChem CID60941784
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
SMILESCOC(=O)C(NCc1cnc(C)s1)C(C)C
InChIInChI=1S/C11H18N2O2S/c1-7(2)10(11(14)15-4)13-6-9-5-12-8(3)16-9/h5,7,10,13H,6H2,1-4H3
InChIKeyAQOGINWWISXUHY-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate with MolForge

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Related Compounds

methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 99834931
N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 115747429
methyl (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutanoate
CID 55179474
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
methyl 2-[(5-ethylthiophen-2-yl)methylamino]-3-methylbutanoate
CID 43452285
methyl 2-[(5-bromothiophen-2-yl)methylamino]-3-methylbutanoate
CID 22966542
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanimidamide
CID 77031370
methyl 3-methyl-2-(pyrazin-2-ylmethylamino)butanoate
CID 62761624
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115587199

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate (CID 60941784) is methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate is COC(=O)C(NCc1cnc(C)s1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The InChIKey is AQOGINWWISXUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)10(11(14)15-4)13-6-9-5-12-8(3)16-9/h5,7,10,13H,6H2,1-4H3.
What are the key properties of methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate has a molecular weight of 242.34 g/mol, XLogP of 1.74, 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-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate is sourced from PubChem (CID 60941784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).