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

C14H8BrClN2OS — CID 8856635

IUPAC(E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)c1ccccc1Br
InChIInChI=1S/C14H8BrClN2OS/c15-10-4-2-1-3-9(10)12(19)6-5-11-13(16)17-14-18(11)7-8-20-14/h1-8H/b6-5+
InChIKeyMIGAABMXGYGVHX-AATRIKPKSA-N
MW367.66 g/mol
LogP4.71
Rot. Bonds3

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

(E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one (PubChem CID 8856635) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
PubChem CID8856635
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC Name(E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)c1ccccc1Br
InChIInChI=1S/C14H8BrClN2OS/c15-10-4-2-1-3-9(10)12(19)6-5-11-13(16)17-14-18(11)7-8-20-14/h1-8H/b6-5+
InChIKeyMIGAABMXGYGVHX-AATRIKPKSA-N
XLogP4.71
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.71
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

2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
CID 35929660
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide
CID 36676334
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 8856869
N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 31794685
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 8859633
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
(Z)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-cyclopropylprop-2-enamide
CID 97305767
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 36678294
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
CID 8860187
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 34816692
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 32979324

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one (CID 8856635) is (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one is O=C(/C=C/c1c(Cl)nc2sccn12)c1ccccc1Br.
What is the InChIKey of (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
The InChIKey is MIGAABMXGYGVHX-AATRIKPKSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-10-4-2-1-3-9(10)12(19)6-5-11-13(16)17-14-18(11)7-8-20-14/h1-8H/b6-5+.
What are the key properties of (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one?
(E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one has a molecular weight of 367.66 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 8856635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).