[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

C14H17N3O3S — CID 29433637

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)OCC(=O)NC2(C#N)CCCC2)cs1
InChIInChI=1S/C14H17N3O3S/c1-10-16-11(8-21-10)6-13(19)20-7-12(18)17-14(9-15)4-2-3-5-14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyCKOQPXPPXRVGTJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.49
Rot. Bonds5

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 29433637) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID29433637
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)OCC(=O)NC2(C#N)CCCC2)cs1
InChIInChI=1S/C14H17N3O3S/c1-10-16-11(8-21-10)6-13(19)20-7-12(18)17-14(9-15)4-2-3-5-14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyCKOQPXPPXRVGTJ-UHFFFAOYSA-N
XLogP1.49
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870824
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130342
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732141
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 3567837
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327942
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528080
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 31394249
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251543
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 62522368
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855794
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841982

Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 29433637) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is Cc1nc(CC(=O)OCC(=O)NC2(C#N)CCCC2)cs1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is CKOQPXPPXRVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10-16-11(8-21-10)6-13(19)20-7-12(18)17-14(9-15)4-2-3-5-14/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 307.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 29433637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).