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

C16H24N2O2S — CID 103487938

IUPACethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C16H24N2O2S/c1-2-20-15(19)8-7-13-10-21-16(18-13)17-9-14(11-3-4-11)12-5-6-12/h10-12,14H,2-9H2,1H3,(H,17,18)
InChIKeyMBXDLIKRAGZLGU-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.49
Rot. Bonds9

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

ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 103487938) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID103487938
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Nameethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C16H24N2O2S/c1-2-20-15(19)8-7-13-10-21-16(18-13)17-9-14(11-3-4-11)12-5-6-12/h10-12,14H,2-9H2,1H3,(H,17,18)
InChIKeyMBXDLIKRAGZLGU-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488583
ethyl 3-[2-(2-ethylhexylamino)-1,3-thiazol-4-yl]propanoate
CID 107818852
ethyl 3-[2-[(2-methylcyclohexyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103486514
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
ethyl 3-[2-[(3-methylcyclobutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488590
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
ethyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485990
ethyl 3-[2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103488217
methyl 3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040655
ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488356
ethyl 3-[2-[(2-propylcyclopropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114112567

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate (CID 103487938) is ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(NCC(C2CC2)C2CC2)n1.
What is the InChIKey of ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is MBXDLIKRAGZLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-20-15(19)8-7-13-10-21-16(18-13)17-9-14(11-3-4-11)12-5-6-12/h10-12,14H,2-9H2,1H3,(H,17,18).
What are the key properties of ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 308.45 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103487938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).