methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate

C10H16N2O2S — CID 75501528

IUPACmethyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(C)CNCc1cscn1
InChIInChI=1S/C10H16N2O2S/c1-10(2,9(13)14-3)6-11-4-8-5-15-7-12-8/h5,7,11H,4,6H2,1-3H3
InChIKeyNDABWDTXMLCLMV-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.43
Rot. Bonds5

About methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate

methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate (PubChem CID 75501528) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
PubChem CID75501528
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(C)CNCc1cscn1
InChIInChI=1S/C10H16N2O2S/c1-10(2,9(13)14-3)6-11-4-8-5-15-7-12-8/h5,7,11H,4,6H2,1-3H3
InChIKeyNDABWDTXMLCLMV-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate
CID 115616332
methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
CID 57171667
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115432832
methyl 2-[5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 82893938
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
CID 61169060
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61171194
4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline
CID 80556664
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate (CID 75501528) is methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate is COC(=O)C(C)(C)CNCc1cscn1.
What is the InChIKey of methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate?
The InChIKey is NDABWDTXMLCLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2,9(13)14-3)6-11-4-8-5-15-7-12-8/h5,7,11H,4,6H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate?
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate has a molecular weight of 228.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate is sourced from PubChem (CID 75501528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).