5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C18H13FN4OS — CID 134796471

IUPAC5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1nc2sccn2c1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN4OS/c19-13-6-4-12(5-7-13)16-15(22-18-23(16)9-10-25-18)17(24)21-11-14-3-1-2-8-20-14/h1-10H,11H2,(H,21,24)
InChIKeyRDXHQYBKQHQJJM-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.53
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796471) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796471
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccccn1)c1nc2sccn2c1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN4OS/c19-13-6-4-12(5-7-13)16-15(22-18-23(16)9-10-25-18)17(24)21-11-14-3-1-2-8-20-14/h1-10H,11H2,(H,21,24)
InChIKeyRDXHQYBKQHQJJM-UHFFFAOYSA-N
XLogP3.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796471) is 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1ccccn1)c1nc2sccn2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is RDXHQYBKQHQJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-13-6-4-12(5-7-13)16-15(22-18-23(16)9-10-25-18)17(24)21-11-14-3-1-2-8-20-14/h1-10H,11H2,(H,21,24).
What are the key properties of 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).