3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one

C19H13FN2OS2 — CID 70896569

IUPAC3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1cn2c(C=CC(=O)c3cccs3)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C19H13FN2OS2/c1-12-11-22-15(8-9-16(23)17-3-2-10-24-17)18(21-19(22)25-12)13-4-6-14(20)7-5-13/h2-11H,1H3
InChIKeyILMBWPJNZBBKJP-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.47
Rot. Bonds4

About 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one

3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 70896569) has the molecular formula C19H13FN2OS2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one
PubChem CID70896569
Molecular FormulaC19H13FN2OS2
Molecular Weight368.46 g/mol
Exact Mass368.05
IUPAC Name3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one
SMILESCc1cn2c(C=CC(=O)c3cccs3)c(-c3ccc(F)cc3)nc2s1
InChIInChI=1S/C19H13FN2OS2/c1-12-11-22-15(8-9-16(23)17-3-2-10-24-17)18(21-19(22)25-12)13-4-6-14(20)7-5-13/h2-11H,1H3
InChIKeyILMBWPJNZBBKJP-UHFFFAOYSA-N
XLogP5.47
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.47
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

3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-yl)prop-2-en-1-one
CID 70896457
(E)-1-(3,5-difluorophenyl)-3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51352581
(E)-1-(2,6-difluorophenyl)-3-[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 155817077
2-[(E)-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54771164
1-(2,4-difluorophenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 76855112
(E)-3-[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 51353474
(E)-3-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 51353160
3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 70896456
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 70896683
(3E)-1-methyl-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]indol-2-one
CID 70684407
(E)-3-[6-[4-(hydroxymethyl)-3-nitrophenyl]-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 70933005

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one (CID 70896569) is 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one is Cc1cn2c(C=CC(=O)c3cccs3)c(-c3ccc(F)cc3)nc2s1.
What is the InChIKey of 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is ILMBWPJNZBBKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2OS2/c1-12-11-22-15(8-9-16(23)17-3-2-10-24-17)18(21-19(22)25-12)13-4-6-14(20)7-5-13/h2-11H,1H3.
What are the key properties of 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one?
3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 368.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 70896569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).