ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate

C13H18N2O3S — CID 43405484

IUPACethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2CCCC2)n1
InChIInChI=1S/C13H18N2O3S/c1-2-18-11(16)7-10-8-19-13(14-10)15-12(17)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeyPGKHNUYGLHKLQJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.38
Rot. Bonds5

About ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 43405484) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID43405484
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2CCCC2)n1
InChIInChI=1S/C13H18N2O3S/c1-2-18-11(16)7-10-8-19-13(14-10)15-12(17)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeyPGKHNUYGLHKLQJ-UHFFFAOYSA-N
XLogP2.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(piperidine-4-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262721
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019287
tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46524628
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575965
ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 154753101
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599
ethyl 2-[2-[[2-(thian-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 80710853
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate (CID 43405484) is ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C2CCCC2)n1.
What is the InChIKey of ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is PGKHNUYGLHKLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-18-11(16)7-10-8-19-13(14-10)15-12(17)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,17).
What are the key properties of ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 282.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43405484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).