(3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone

C19H21FN4O2S — CID 56757554

IUPAC(3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESCCC1CN(C(=O)c2csc3nc(-c4ccc(OC)c(F)c4)cn23)CCN1
InChIInChI=1S/C19H21FN4O2S/c1-3-13-9-23(7-6-21-13)18(25)16-11-27-19-22-15(10-24(16)19)12-4-5-17(26-2)14(20)8-12/h4-5,8,10-11,13,21H,3,6-7,9H2,1-2H3
InChIKeyXEWAAQWLLMSAED-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.03
Rot. Bonds4

About (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone

(3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone (PubChem CID 56757554) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone.

Molecular Properties

Compound Name(3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
PubChem CID56757554
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name(3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
SMILESCCC1CN(C(=O)c2csc3nc(-c4ccc(OC)c(F)c4)cn23)CCN1
InChIInChI=1S/C19H21FN4O2S/c1-3-13-9-23(7-6-21-13)18(25)16-11-27-19-22-15(10-24(16)19)12-4-5-17(26-2)14(20)8-12/h4-5,8,10-11,13,21H,3,6-7,9H2,1-2H3
InChIKeyXEWAAQWLLMSAED-UHFFFAOYSA-N
XLogP3.03
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 42286268
6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56754089
(3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95213030
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 42197445
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270073
ethyl 4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]piperazine-1-carboxylate
CID 42271685
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 119073846
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270014
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The IUPAC name of (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone (CID 56757554) is (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone.
What is the SMILES notation for (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The canonical SMILES for (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone is CCC1CN(C(=O)c2csc3nc(-c4ccc(OC)c(F)c4)cn23)CCN1.
What is the InChIKey of (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
The InChIKey is XEWAAQWLLMSAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-3-13-9-23(7-6-21-13)18(25)16-11-27-19-22-15(10-24(16)19)12-4-5-17(26-2)14(20)8-12/h4-5,8,10-11,13,21H,3,6-7,9H2,1-2H3.
What are the key properties of (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone?
(3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone is sourced from PubChem (CID 56757554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).