6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

C11H8ClF3N4OS — CID 4553285

IUPAC6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1N2CCSC2=NC1(Nc1ccc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C11H8ClF3N4OS/c12-6-1-2-7(16-5-6)17-10(11(13,14)15)8(20)19-3-4-21-9(19)18-10/h1-2,5H,3-4H2,(H,16,17)
InChIKeyVDEWNAWYDBKFRV-UHFFFAOYSA-N
MW336.73 g/mol
LogP2.35
Rot. Bonds2

About 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 4553285) has the molecular formula C11H8ClF3N4OS and a molecular weight of 336.73 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID4553285
Molecular FormulaC11H8ClF3N4OS
Molecular Weight336.73 g/mol
Exact Mass336.01
IUPAC Name6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1N2CCSC2=NC1(Nc1ccc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C11H8ClF3N4OS/c12-6-1-2-7(16-5-6)17-10(11(13,14)15)8(20)19-3-4-21-9(19)18-10/h1-2,5H,3-4H2,(H,16,17)
InChIKeyVDEWNAWYDBKFRV-UHFFFAOYSA-N
XLogP2.35
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 4553285) is 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is O=C1N2CCSC2=NC1(Nc1ccc(Cl)cn1)C(F)(F)F.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is VDEWNAWYDBKFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4OS/c12-6-1-2-7(16-5-6)17-10(11(13,14)15)8(20)19-3-4-21-9(19)18-10/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 336.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 4553285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).