6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C17H13FN4O2S — CID 42514244

IUPAC6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C17H13FN4O2S/c1-21(8-13-5-6-24-20-13)16(23)15-10-25-17-19-14(9-22(15)17)11-3-2-4-12(18)7-11/h2-7,9-10H,8H2,1H3
InChIKeyILXFAQDFDWQRRG-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.46
Rot. Bonds4

About 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42514244) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42514244
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC Name6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1ccon1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12
InChIInChI=1S/C17H13FN4O2S/c1-21(8-13-5-6-24-20-13)16(23)15-10-25-17-19-14(9-22(15)17)11-3-2-4-12(18)7-11/h2-7,9-10H,8H2,1H3
InChIKeyILXFAQDFDWQRRG-UHFFFAOYSA-N
XLogP3.46
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42514244) is 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CN(Cc1ccon1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12.
What is the InChIKey of 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is ILXFAQDFDWQRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c1-21(8-13-5-6-24-20-13)16(23)15-10-25-17-19-14(9-22(15)17)11-3-2-4-12(18)7-11/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42514244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).