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

C10H16N2O2S — CID 115353240

IUPACmethyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
SMILESCCC(NCc1cnc(C)s1)C(=O)OC
InChIInChI=1S/C10H16N2O2S/c1-4-9(10(13)14-3)12-6-8-5-11-7(2)15-8/h5,9,12H,4,6H2,1-3H3
InChIKeyGYOXAPXMTYYUII-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.49
Rot. Bonds5

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

methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate (PubChem CID 115353240) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
PubChem CID115353240
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
SMILESCCC(NCc1cnc(C)s1)C(=O)OC
InChIInChI=1S/C10H16N2O2S/c1-4-9(10(13)14-3)12-6-8-5-11-7(2)15-8/h5,9,12H,4,6H2,1-3H3
InChIKeyGYOXAPXMTYYUII-UHFFFAOYSA-N
XLogP1.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 99834931
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
CID 103243285
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423
methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
CID 115353361
N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 115747429
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
CID 77031820
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
CID 61282170
ethyl 3,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]butanoate
CID 116537892

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The IUPAC name of methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate (CID 115353240) is methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate is CCC(NCc1cnc(C)s1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
The InChIKey is GYOXAPXMTYYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-9(10(13)14-3)12-6-8-5-11-7(2)15-8/h5,9,12H,4,6H2,1-3H3.
What are the key properties of methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate?
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate has a molecular weight of 228.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate is sourced from PubChem (CID 115353240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).