[(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

C13H13ClN2O3S — CID 2358880

IUPAC[(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)OC[C@@H]1CCCO1
InChIInChI=1S/C13H13ClN2O3S/c14-12-10(16-5-7-20-13(16)15-12)3-4-11(17)19-8-9-2-1-6-18-9/h3-5,7,9H,1-2,6,8H2/b4-3+/t9-/m0/s1
InChIKeyFNOLQOBXPAWZID-NWALNABHSA-N
MW312.78 g/mol
LogP2.78
Rot. Bonds4

About [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

[(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate (PubChem CID 2358880) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
PubChem CID2358880
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name[(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)OC[C@@H]1CCCO1
InChIInChI=1S/C13H13ClN2O3S/c14-12-10(16-5-7-20-13(16)15-12)3-4-11(17)19-8-9-2-1-6-18-9/h3-5,7,9H,1-2,6,8H2/b4-3+/t9-/m0/s1
InChIKeyFNOLQOBXPAWZID-NWALNABHSA-N
XLogP2.78
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 52538217
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 51916211
ethyl 1-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylate
CID 91942617
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 60957370
1-[3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 74871914
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 37484172
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115409962
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81340429
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1-cyclopropylethyl)prop-2-enamide
CID 47113826
4-oxo-4-(oxolan-2-ylmethoxy)but-2-enoic acid
CID 2827336
oxan-2-ylmethyl 3-phenylprop-2-enoate
CID 73083639
(E)-1-(4-benzoylpiperidin-1-yl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 33363731

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate (CID 2358880) is [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate is O=C(/C=C/c1c(Cl)nc2sccn12)OC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
The InChIKey is FNOLQOBXPAWZID-NWALNABHSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c14-12-10(16-5-7-20-13(16)15-12)3-4-11(17)19-8-9-2-1-6-18-9/h3-5,7,9H,1-2,6,8H2/b4-3+/t9-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate?
[(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate has a molecular weight of 312.78 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate is sourced from PubChem (CID 2358880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).