6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C16H11FN4O2S — CID 42269977

IUPAC6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)no1
InChIInChI=1S/C16H11FN4O2S/c1-9-6-14(20-23-9)19-15(22)13-8-24-16-18-12(7-21(13)16)10-2-4-11(17)5-3-10/h2-8H,1H3,(H,19,20,22)
InChIKeyYJYCKRNRCJNIOC-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.75
Rot. Bonds3

About 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42269977) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42269977
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC Name6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)no1
InChIInChI=1S/C16H11FN4O2S/c1-9-6-14(20-23-9)19-15(22)13-8-24-16-18-12(7-21(13)16)10-2-4-11(17)5-3-10/h2-8H,1H3,(H,19,20,22)
InChIKeyYJYCKRNRCJNIOC-UHFFFAOYSA-N
XLogP3.75
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42269977) is 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1cc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)no1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is YJYCKRNRCJNIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c1-9-6-14(20-23-9)19-15(22)13-8-24-16-18-12(7-21(13)16)10-2-4-11(17)5-3-10/h2-8H,1H3,(H,19,20,22).
What are the key properties of 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42269977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).