(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one

C19H18ClN3OS — CID 39580904

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H18ClN3OS/c20-18-16(23-12-13-25-19(23)21-18)6-7-17(24)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12-13,15H,8-11H2/b7-6+
InChIKeyZDIOYQKGBDPDJL-VOTSOKGWSA-N
MW371.89 g/mol
LogP4.47
Rot. Bonds3

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 39580904) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one
PubChem CID39580904
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H18ClN3OS/c20-18-16(23-12-13-25-19(23)21-18)6-7-17(24)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12-13,15H,8-11H2/b7-6+
InChIKeyZDIOYQKGBDPDJL-VOTSOKGWSA-N
XLogP4.47
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one (CID 39580904) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one is O=C(/C=C/c1c(Cl)nc2sccn12)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is ZDIOYQKGBDPDJL-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c20-18-16(23-12-13-25-19(23)21-18)6-7-17(24)22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-7,12-13,15H,8-11H2/b7-6+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 371.89 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-phenylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 39580904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).