ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate

C16H26N2O2S — CID 103485947

IUPACethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NC2CCCCCCC2)n1
InChIInChI=1S/C16H26N2O2S/c1-2-20-15(19)11-10-14-12-21-16(18-14)17-13-8-6-4-3-5-7-9-13/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyWDGQEZCVRJGABK-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.16
Rot. Bonds6

About ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 103485947) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID103485947
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Nameethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NC2CCCCCCC2)n1
InChIInChI=1S/C16H26N2O2S/c1-2-20-15(19)11-10-14-12-21-16(18-14)17-13-8-6-4-3-5-7-9-13/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyWDGQEZCVRJGABK-UHFFFAOYSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-[(3-methylcyclobutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488590
ethyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485990
ethyl 3-[2-[(1,1-dioxothiolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485960
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
ethyl 3-[2-[(2-propylcyclopropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114112567
ethyl 3-[2-[(2-methylcyclohexyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486514
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488583
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
methyl 3-[2-[(1,1-dioxothian-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040393

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate (CID 103485947) is ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(NC2CCCCCCC2)n1.
What is the InChIKey of ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is WDGQEZCVRJGABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-20-15(19)11-10-14-12-21-16(18-14)17-13-8-6-4-3-5-7-9-13/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 310.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).