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

C11H16N2O2S — CID 80574502

IUPACmethyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(C)C2CC2)n1
InChIInChI=1S/C11H16N2O2S/c1-7(8-3-4-8)12-11-13-9(6-16-11)5-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyXNJRJMXMJZJKLS-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.07
Rot. Bonds5

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

methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 80574502) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
PubChem CID80574502
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(C)C2CC2)n1
InChIInChI=1S/C11H16N2O2S/c1-7(8-3-4-8)12-11-13-9(6-16-11)5-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyXNJRJMXMJZJKLS-UHFFFAOYSA-N
XLogP2.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087
methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
methyl 2-[2-[1-(4-fluorophenyl)propan-2-ylamino]-1,3-thiazol-4-yl]acetate
CID 80574724
methyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575155
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-(bicyclo[3.1.0]hexane-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 79600201
methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575239
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate (CID 80574502) is methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(C)C2CC2)n1.
What is the InChIKey of methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is XNJRJMXMJZJKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(8-3-4-8)12-11-13-9(6-16-11)5-10(14)15-2/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 240.33 g/mol, XLogP of 2.07, 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-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).