methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate

C11H18N2O2S — CID 104770676

IUPACmethyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)C(NCC(C)C)c1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-7(2)5-12-9(11(14)15-4)10-13-8(3)6-16-10/h6-7,9,12H,5H2,1-4H3
InChIKeyFHLSCCDHAVVBKV-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.91
Rot. Bonds5

About methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate

methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (PubChem CID 104770676) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
PubChem CID104770676
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
SMILESCOC(=O)C(NCC(C)C)c1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-7(2)5-12-9(11(14)15-4)10-13-8(3)6-16-10/h6-7,9,12H,5H2,1-4H3
InChIKeyFHLSCCDHAVVBKV-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetate
CID 104770610
ethyl 2-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 104770695
methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate
CID 104771637
2-[2-(dimethylamino)ethylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770262
methyl (3S)-3-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 104770778
methyl 2-(2-methylpropylamino)-2-(1-propan-2-ylpyrazol-4-yl)acetate
CID 114075698
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770268
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104771577
2-(3-methoxyanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104770250
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
ethyl 2-(4-bromoanilino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 104770653

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate (CID 104770676) is methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate is COC(=O)C(NCC(C)C)c1nc(C)cs1.
What is the InChIKey of methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
The InChIKey is FHLSCCDHAVVBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)5-12-9(11(14)15-4)10-13-8(3)6-16-10/h6-7,9,12H,5H2,1-4H3.
What are the key properties of methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate?
methyl 2-(2-methylpropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate has a molecular weight of 242.34 g/mol, XLogP of 1.91, 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-(4-methyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 104770676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).