N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide

C12H9F3N4O2S — CID 5039769

IUPACN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1cccnc1
InChIInChI=1S/C12H9F3N4O2S/c13-12(14,15)11(9(21)19-4-5-22-10(19)18-11)17-8(20)7-2-1-3-16-6-7/h1-3,6H,4-5H2,(H,17,20)
InChIKeyMVRJMXGHRGBKHA-UHFFFAOYSA-N
MW330.29 g/mol
LogP1.01
Rot. Bonds2

About N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide

N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide (PubChem CID 5039769) has the molecular formula C12H9F3N4O2S and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide
PubChem CID5039769
Molecular FormulaC12H9F3N4O2S
Molecular Weight330.29 g/mol
Exact Mass330.04
IUPAC NameN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1cccnc1
InChIInChI=1S/C12H9F3N4O2S/c13-12(14,15)11(9(21)19-4-5-22-10(19)18-11)17-8(20)7-2-1-3-16-6-7/h1-3,6H,4-5H2,(H,17,20)
InChIKeyMVRJMXGHRGBKHA-UHFFFAOYSA-N
XLogP1.01
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide (CID 5039769) is N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide is O=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1cccnc1.
What is the InChIKey of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide?
The InChIKey is MVRJMXGHRGBKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2S/c13-12(14,15)11(9(21)19-4-5-22-10(19)18-11)17-8(20)7-2-1-3-16-6-7/h1-3,6H,4-5H2,(H,17,20).
What are the key properties of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide?
N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 5039769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).