6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

C10H8F3N5OS — CID 47001724

IUPAC6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1N2CCSC2=NC1(Nc1ncccn1)C(F)(F)F
InChIInChI=1S/C10H8F3N5OS/c11-10(12,13)9(16-7-14-2-1-3-15-7)6(19)18-4-5-20-8(18)17-9/h1-3H,4-5H2,(H,14,15,16)
InChIKeyJHMFKTDMNHAVOQ-UHFFFAOYSA-N
MW303.27 g/mol
LogP1.09
Rot. Bonds2

About 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 47001724) has the molecular formula C10H8F3N5OS and a molecular weight of 303.27 g/mol. Its IUPAC name is 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID47001724
Molecular FormulaC10H8F3N5OS
Molecular Weight303.27 g/mol
Exact Mass303.04
IUPAC Name6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1N2CCSC2=NC1(Nc1ncccn1)C(F)(F)F
InChIInChI=1S/C10H8F3N5OS/c11-10(12,13)9(16-7-14-2-1-3-15-7)6(19)18-4-5-20-8(18)17-9/h1-3H,4-5H2,(H,14,15,16)
InChIKeyJHMFKTDMNHAVOQ-UHFFFAOYSA-N
XLogP1.09
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 47001724) is 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is O=C1N2CCSC2=NC1(Nc1ncccn1)C(F)(F)F.
What is the InChIKey of 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is JHMFKTDMNHAVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5OS/c11-10(12,13)9(16-7-14-2-1-3-15-7)6(19)18-4-5-20-8(18)17-9/h1-3H,4-5H2,(H,14,15,16).
What are the key properties of 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 303.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrimidin-2-ylamino)-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 47001724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).