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

C20H23FN4O2S — CID 3237977

IUPAC6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H23FN4O2S/c1-14-18(19(26)22-7-2-8-24-9-11-27-12-10-24)28-20-23-17(13-25(14)20)15-3-5-16(21)6-4-15/h3-6,13H,2,7-12H2,1H3,(H,22,26)
InChIKeyCKLSSBCPOAYZCY-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.96
Rot. Bonds6

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

6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3237977) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3237977
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H23FN4O2S/c1-14-18(19(26)22-7-2-8-24-9-11-27-12-10-24)28-20-23-17(13-25(14)20)15-3-5-16(21)6-4-15/h3-6,13H,2,7-12H2,1H3,(H,22,26)
InChIKeyCKLSSBCPOAYZCY-UHFFFAOYSA-N
XLogP2.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3237977) is 6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is CKLSSBCPOAYZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-14-18(19(26)22-7-2-8-24-9-11-27-12-10-24)28-20-23-17(13-25(14)20)15-3-5-16(21)6-4-15/h3-6,13H,2,7-12H2,1H3,(H,22,26).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.96, 6 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-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3237977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).