6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

C19H21FN4O2S — CID 3236205

IUPAC6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H21FN4O2S/c1-13-17(18(25)21-6-7-23-8-10-26-11-9-23)27-19-22-16(12-24(13)19)14-2-4-15(20)5-3-14/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyJQVLKCAWNFFOIL-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.57
Rot. Bonds5

About 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3236205) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3236205
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H21FN4O2S/c1-13-17(18(25)21-6-7-23-8-10-26-11-9-23)27-19-22-16(12-24(13)19)14-2-4-15(20)5-3-14/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyJQVLKCAWNFFOIL-UHFFFAOYSA-N
XLogP2.57
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3236205) is 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is JQVLKCAWNFFOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-13-17(18(25)21-6-7-23-8-10-26-11-9-23)27-19-22-16(12-24(13)19)14-2-4-15(20)5-3-14/h2-5,12H,6-11H2,1H3,(H,21,25).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3236205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).