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

C12H11F3N4OS — CID 4303839

IUPAC6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESCc1cccnc1NC1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C12H11F3N4OS/c1-7-3-2-4-16-8(7)17-11(12(13,14)15)9(20)19-5-6-21-10(19)18-11/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyWMVAZXKYNQWDAK-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.01
Rot. Bonds2

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

6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 4303839) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID4303839
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC Name6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESCc1cccnc1NC1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C12H11F3N4OS/c1-7-3-2-4-16-8(7)17-11(12(13,14)15)9(20)19-5-6-21-10(19)18-11/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyWMVAZXKYNQWDAK-UHFFFAOYSA-N
XLogP2.01
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 4303839) is 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is Cc1cccnc1NC1(C(F)(F)F)N=C2SCCN2C1=O.
What is the InChIKey of 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is WMVAZXKYNQWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c1-7-3-2-4-16-8(7)17-11(12(13,14)15)9(20)19-5-6-21-10(19)18-11/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 316.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-2-pyridinyl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 4303839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).