methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate

C10H16N2O2S — CID 43774763

IUPACmethyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1scnc1C
InChIInChI=1S/C10H16N2O2S/c1-7(10-8(2)12-6-15-10)11-5-4-9(13)14-3/h6-7,11H,4-5H2,1-3H3
InChIKeyCBHGTPFRZNFLOF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.67
Rot. Bonds5

About methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate

methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate (PubChem CID 43774763) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
PubChem CID43774763
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1scnc1C
InChIInChI=1S/C10H16N2O2S/c1-7(10-8(2)12-6-15-10)11-5-4-9(13)14-3/h6-7,11H,4-5H2,1-3H3
InChIKeyCBHGTPFRZNFLOF-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2,2-dimethyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 75501533
tert-butyl N-[2,2-difluoro-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 104955592
2-[[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 113792922
2-(4-Methyl-1,3-thiazol-5-yl)ethyl 3-aminopropanoate
CID 164942727
Methyl 2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetate
CID 176111141
Methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
3-[1-(2,5-Dimethyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 43139805
methyl (2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43723501
2-[1-(4-Methyl-1,3-thiazol-5-yl)ethylamino]acetamide
CID 43754755
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 43755032
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43755162
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 43756240

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate (CID 43774763) is methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate is COC(=O)CCNC(C)c1scnc1C.
What is the InChIKey of methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
The InChIKey is CBHGTPFRZNFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(10-8(2)12-6-15-10)11-5-4-9(13)14-3/h6-7,11H,4-5H2,1-3H3.
What are the key properties of methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate?
methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate has a molecular weight of 228.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate is sourced from PubChem (CID 43774763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).