ethyl 2-(1,3-thiazol-2-yl)propanoate

C16H22N2O4S2 — CID 158867991

IUPACethyl 2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nccs1.CCOC(=O)C(C)c1nccs1
InChIInChI=1S/2C8H11NO2S/c2*1-3-11-8(10)6(2)7-9-4-5-12-7/h2*4-6H,3H2,1-2H3
InChIKeyJBMJCCDIICAWEI-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.62
Rot. Bonds6

About ethyl 2-(1,3-thiazol-2-yl)propanoate

ethyl 2-(1,3-thiazol-2-yl)propanoate (PubChem CID 158867991) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-2-yl)propanoate
PubChem CID158867991
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC Nameethyl 2-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nccs1.CCOC(=O)C(C)c1nccs1
InChIInChI=1S/2C8H11NO2S/c2*1-3-11-8(10)6(2)7-9-4-5-12-7/h2*4-6H,3H2,1-2H3
InChIKeyJBMJCCDIICAWEI-UHFFFAOYSA-N
XLogP3.62
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
CID 12785117
ethyl 2-(cycloheptylamino)-2-(1,3-thiazol-2-yl)acetate
CID 113373043
ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
CID 21440022
ethyl 2-[3-methyl-4-(1,3-thiazol-2-yl)phenyl]propanoate
CID 150791633
ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate
CID 95979285
ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(1,3-thiazol-2-yl)propanoate
CID 170817251
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
butane;[ethoxy(1,3-thiazol-2-yl)methoxy]-hydroxy-oxophosphanium
CID 70131144
diethyl 2-(2-methylpropyl)-2-(1,3-thiazol-2-ylmethyl)propanedioate
CID 103972814
1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate
CID 91652903

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(1,3-thiazol-2-yl)propanoate (CID 158867991) is ethyl 2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(1,3-thiazol-2-yl)propanoate is CCOC(=O)C(C)c1nccs1.CCOC(=O)C(C)c1nccs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is JBMJCCDIICAWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11NO2S/c2*1-3-11-8(10)6(2)7-9-4-5-12-7/h2*4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(1,3-thiazol-2-yl)propanoate?
ethyl 2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 370.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 158867991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).