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

C15H11ClN2O2S — CID 8856869

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C15H11ClN2O2S/c1-20-11-4-2-10(3-5-11)13(19)7-6-12-14(16)17-15-18(12)8-9-21-15/h2-9H,1H3/b7-6+
InChIKeyUMUBPYQQNLHHHG-VOTSOKGWSA-N
MW318.79 g/mol
LogP3.95
Rot. Bonds4

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

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 8856869) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID8856869
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C15H11ClN2O2S/c1-20-11-4-2-10(3-5-11)13(19)7-6-12-14(16)17-15-18(12)8-9-21-15/h2-9H,1H3/b7-6+
InChIKeyUMUBPYQQNLHHHG-VOTSOKGWSA-N
XLogP3.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 8859633
2-[4-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide
CID 8815023
(E)-1-(3,4-dimethylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51353296
(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
3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 70896459
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylprop-2-enamide
CID 51143622
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
(E)-1-(2-bromophenyl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 8856635
[4-(methanesulfonamido)phenyl] (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 60528027
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 37345715
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methyl-N-phenylprop-2-enamide
CID 36676334
(3-carbamoylphenyl) (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 87014064

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 8856869) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)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-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2c(Cl)nc3sccn23)cc1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is UMUBPYQQNLHHHG-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-20-11-4-2-10(3-5-11)13(19)7-6-12-14(16)17-15-18(12)8-9-21-15/h2-9H,1H3/b7-6+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 318.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 8856869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).