methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate

C16H26N2O2S — CID 80574480

IUPACmethyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C16H26N2O2S/c1-12(2)9-16(6-4-5-7-16)11-17-15-18-13(10-21-15)8-14(19)20-3/h10,12H,4-9,11H2,1-3H3,(H,17,18)
InChIKeyGLKZKWLLRLSSGZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.88
Rot. Bonds7

About methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574480) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574480
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Namemethyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C16H26N2O2S/c1-12(2)9-16(6-4-5-7-16)11-17-15-18-13(10-21-15)8-14(19)20-3/h10,12H,4-9,11H2,1-3H3,(H,17,18)
InChIKeyGLKZKWLLRLSSGZ-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
methyl 2-[2-[(4-propan-2-ylphenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80574203
[1-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclopentyl]methanol
CID 115360729
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481
methyl 2-[2-(1-cyclopropylethylamino)-1,3-thiazol-4-yl]acetate
CID 80574502
methyl 2-[2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazol-4-yl]acetate
CID 106296025
methyl 2-[2-(2-methylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80575087
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
methyl 2-[2-[(2-cyclohexyloxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 51087089
methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 114114668

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate (CID 80574480) is methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NCC2(CC(C)C)CCCC2)n1.
What is the InChIKey of methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is GLKZKWLLRLSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)9-16(6-4-5-7-16)11-17-15-18-13(10-21-15)8-14(19)20-3/h10,12H,4-9,11H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 310.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).