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

C13H22N2O2S — CID 103486127

IUPACethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N(CC)C(C)C)n1
InChIInChI=1S/C13H22N2O2S/c1-5-15(10(3)4)13-14-11(9-18-13)7-8-12(16)17-6-2/h9-10H,5-8H2,1-4H3
InChIKeyQLGKBCOSXQUSSD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.87
Rot. Bonds7

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

ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate (PubChem CID 103486127) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
PubChem CID103486127
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Nameethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(N(CC)C(C)C)n1
InChIInChI=1S/C13H22N2O2S/c1-5-15(10(3)4)13-14-11(9-18-13)7-8-12(16)17-6-2/h9-10H,5-8H2,1-4H3
InChIKeyQLGKBCOSXQUSSD-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486910
ethyl 3-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486363
ethyl 3-[2-[methyl(2-methylbutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486175
ethyl 3-[2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103487703
ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488236
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474
ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574823
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486550
ethyl 2-[2-[2-cyanoethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575808
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
ethyl 3-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 103486713

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate (CID 103486127) is ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(N(CC)C(C)C)n1.
What is the InChIKey of ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is QLGKBCOSXQUSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-15(10(3)4)13-14-11(9-18-13)7-8-12(16)17-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 270.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103486127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).