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

C10H14N2O2S — CID 80575405

IUPACmethyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCC2CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-14-9(13)4-8-6-15-10(12-8)11-5-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyUYODZLSWSZMNGG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.68
Rot. Bonds5

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

methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 80575405) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
PubChem CID80575405
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namemethyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCC2CC2)n1
InChIInChI=1S/C10H14N2O2S/c1-14-9(13)4-8-6-15-10(12-8)11-5-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyUYODZLSWSZMNGG-UHFFFAOYSA-N
XLogP1.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80576298
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
4-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525743
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345
N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 106125836
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-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575913
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-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate (CID 80575405) is methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NCC2CC2)n1.
What is the InChIKey of methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is UYODZLSWSZMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-14-9(13)4-8-6-15-10(12-8)11-5-7-2-3-7/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 226.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).