methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate

C11H18N2O2S — CID 112510215

IUPACmethyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(C(N)CC(C)C)n1
InChIInChI=1S/C11H18N2O2S/c1-7(2)4-9(12)11-13-8(6-16-11)5-10(14)15-3/h6-7,9H,4-5,12H2,1-3H3
InChIKeyRPDDMVUPLGTHQW-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.90
Rot. Bonds5

About methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate (PubChem CID 112510215) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
PubChem CID112510215
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(C(N)CC(C)C)n1
InChIInChI=1S/C11H18N2O2S/c1-7(2)4-9(12)11-13-8(6-16-11)5-10(14)15-3/h6-7,9H,4-5,12H2,1-3H3
InChIKeyRPDDMVUPLGTHQW-UHFFFAOYSA-N
XLogP1.90
TPSA65.21 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 51106830
methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575239
methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate
CID 82547784
methyl 2-[2-[2-cyanoethyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575232
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 104770778
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate (CID 112510215) is methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(C(N)CC(C)C)n1.
What is the InChIKey of methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is RPDDMVUPLGTHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)4-9(12)11-13-8(6-16-11)5-10(14)15-3/h6-7,9H,4-5,12H2,1-3H3.
What are the key properties of methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 242.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 112510215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).