3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile

C24H13F3N6S2 — CID 164581275

IUPAC3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
SMILESCc1cn2cc(-c3ccc(C#N)cc3-c3nc(-c4cn5ccsc5n4)ccc3C(F)(F)F)nc2s1
InChIInChI=1S/C24H13F3N6S2/c1-13-10-33-11-19(30-23(33)35-13)15-3-2-14(9-28)8-16(15)21-17(24(25,26)27)4-5-18(29-21)20-12-32-6-7-34-22(32)31-20/h2-8,10-12H,1H3
InChIKeyQUNHSRVLTVGIAE-UHFFFAOYSA-N
MW506.54 g/mol
LogP6.70
Rot. Bonds3

About 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile

3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile (PubChem CID 164581275) has the molecular formula C24H13F3N6S2 and a molecular weight of 506.54 g/mol. Its IUPAC name is 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile.

Molecular Properties

Compound Name3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
PubChem CID164581275
Molecular FormulaC24H13F3N6S2
Molecular Weight506.54 g/mol
Exact Mass506.06
IUPAC Name3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
SMILESCc1cn2cc(-c3ccc(C#N)cc3-c3nc(-c4cn5ccsc5n4)ccc3C(F)(F)F)nc2s1
InChIInChI=1S/C24H13F3N6S2/c1-13-10-33-11-19(30-23(33)35-13)15-3-2-14(9-28)8-16(15)21-17(24(25,26)27)4-5-18(29-21)20-12-32-6-7-34-22(32)31-20/h2-8,10-12H,1H3
InChIKeyQUNHSRVLTVGIAE-UHFFFAOYSA-N
XLogP6.70
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.54
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
1-[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-N,N-dimethylmethanamine
CID 44579350
6-(4-Fluorophenyl)-5-(2-methylsulfanyl-pyrimidin-4-yl)-imidazo[2,1-b]thiazole
CID 58541696
2'-Fluoro-5'-[7-(2-methylthiazol-5-yl)imidazo[1,2-alpha]pyrimidin-3-yl]biphenyl-2-carbonitrile
CID 10158537
6-(4-Fluorophenyl)-2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
CID 58541701
6-(3,4-Difluorophenyl)-5-(2-methylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
CID 68200367
4-((E)-2-{6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl}vinyl)pyrimidin-2-amine
CID 69180921
4-[2-[6-[3-(Trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]ethenyl]pyrimidin-2-amine
CID 69180922
6-(4-Fluorophenyl)-5-pyrimidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 70831721
1-[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]-N-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-N-[3-(trifluoromethyl)benzyl]methanamine
CID 86288252
6-(4-fluorophenyl)-5-[(E)-2-pyrimidin-4-ylethenyl]imidazo[2,1-b][1,3]thiazole
CID 141094501
2-[1-[6-(Trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]imidazol-4-yl]-1,3-thiazole
CID 141185307

Frequently Asked Questions

What is the IUPAC name of 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile?
The IUPAC name of 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile (CID 164581275) is 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile.
What is the SMILES notation for 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile?
The canonical SMILES for 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile is Cc1cn2cc(-c3ccc(C#N)cc3-c3nc(-c4cn5ccsc5n4)ccc3C(F)(F)F)nc2s1.
What is the InChIKey of 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile?
The InChIKey is QUNHSRVLTVGIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F3N6S2/c1-13-10-33-11-19(30-23(33)35-13)15-3-2-14(9-28)8-16(15)21-17(24(25,26)27)4-5-18(29-21)20-12-32-6-7-34-22(32)31-20/h2-8,10-12H,1H3.
What are the key properties of 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile?
3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile has a molecular weight of 506.54 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile is sourced from PubChem (CID 164581275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).