methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate

C11H18N2O2S — CID 64990980

IUPACmethyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1nccs1
InChIInChI=1S/C11H18N2O2S/c1-8(2)7-13-11(3,10(14)15-4)9-12-5-6-16-9/h5-6,8,13H,7H2,1-4H3
InChIKeyFTWUFSWZNBVHIW-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.78
Rot. Bonds5

About methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate

methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 64990980) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
PubChem CID64990980
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1nccs1
InChIInChI=1S/C11H18N2O2S/c1-8(2)7-13-11(3,10(14)15-4)9-12-5-6-16-9/h5-6,8,13H,7H2,1-4H3
InChIKeyFTWUFSWZNBVHIW-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990575
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
methyl 2-(2-methylpropylamino)-2-(3-methylpyrazin-2-yl)propanoate
CID 114080383
methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991150
methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991251
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287
ethyl 2-(2-azidoethylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 66188847
2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
CID 160500283

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate (CID 64990980) is methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate is COC(=O)C(C)(NCC(C)C)c1nccs1.
What is the InChIKey of methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is FTWUFSWZNBVHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(2)7-13-11(3,10(14)15-4)9-12-5-6-16-9/h5-6,8,13H,7H2,1-4H3.
What are the key properties of methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate?
methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 242.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 64990980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).