N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C16H16FN3OS — CID 42270304

IUPACN-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C16H16FN3OS/c1-16(2,3)19-14(21)13-9-22-15-18-12(8-20(13)15)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,19,21)
InChIKeyQYFSIFHGFLTIFL-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.73
Rot. Bonds2

About N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270304) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270304
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC NameN-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C16H16FN3OS/c1-16(2,3)19-14(21)13-9-22-15-18-12(8-20(13)15)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,19,21)
InChIKeyQYFSIFHGFLTIFL-UHFFFAOYSA-N
XLogP3.73
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270304) is N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC(C)(C)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is QYFSIFHGFLTIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c1-16(2,3)19-14(21)13-9-22-15-18-12(8-20(13)15)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).