6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C18H13FN4OS — CID 5310045

IUPAC6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H13FN4OS/c1-11-16(17(24)21-14-6-8-20-9-7-14)25-18-22-15(10-23(11)18)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,24)
InChIKeyTWJYFYDSBMWQJO-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.16
Rot. Bonds3

About 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide

6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 5310045) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID5310045
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H13FN4OS/c1-11-16(17(24)21-14-6-8-20-9-7-14)25-18-22-15(10-23(11)18)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,24)
InChIKeyTWJYFYDSBMWQJO-UHFFFAOYSA-N
XLogP4.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 5310045) is 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is TWJYFYDSBMWQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-11-16(17(24)21-14-6-8-20-9-7-14)25-18-22-15(10-23(11)18)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,21,24).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 5310045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).