6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

C14H11F3N4O3S3 — CID 2962157

IUPAC6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESCS(=O)(=O)c1ccc2nc(NC3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1
InChIInChI=1S/C14H11F3N4O3S3/c1-27(23,24)7-2-3-8-9(6-7)26-11(18-8)19-13(14(15,16)17)10(22)21-4-5-25-12(21)20-13/h2-3,6H,4-5H2,1H3,(H,18,19)
InChIKeyRQZWTDUCANDWTI-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.32
Rot. Bonds3

About 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 2962157) has the molecular formula C14H11F3N4O3S3 and a molecular weight of 436.46 g/mol. Its IUPAC name is 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID2962157
Molecular FormulaC14H11F3N4O3S3
Molecular Weight436.46 g/mol
Exact Mass435.99
IUPAC Name6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESCS(=O)(=O)c1ccc2nc(NC3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1
InChIInChI=1S/C14H11F3N4O3S3/c1-27(23,24)7-2-3-8-9(6-7)26-11(18-8)19-13(14(15,16)17)10(22)21-4-5-25-12(21)20-13/h2-3,6H,4-5H2,1H3,(H,18,19)
InChIKeyRQZWTDUCANDWTI-UHFFFAOYSA-N
XLogP2.32
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1,3-Benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
CID 949083
N-[6-(methylsulfonyl)benzothiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1271512
N-(1,3-benzothiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 4783568
2-Acetamido-3,3,3-trifluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propanoic acid methyl ester
CID 660642
N-{6-[(diallylamino)sulfonyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
CID 993382
N-(4-(benzo[d]thiazol-2-yl)thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 4144800
N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-5-oxo-1-phenyl-3-pyrrolidinecarboxamide
CID 6497262
N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-1,2,3-thiadiazole-4-carboxamide
CID 17012662
N-(benzo[d]thiazol-2-yl)-2-((1-(2-(diethylamino)ethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 18578589
7a-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24816594
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24820075
N-(6-fluoro-1,3-benzothiazol-2-yl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25161892

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 2962157) is 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is CS(=O)(=O)c1ccc2nc(NC3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1.
What is the InChIKey of 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is RQZWTDUCANDWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O3S3/c1-27(23,24)7-2-3-8-9(6-7)26-11(18-8)19-13(14(15,16)17)10(22)21-4-5-25-12(21)20-13/h2-3,6H,4-5H2,1H3,(H,18,19).
What are the key properties of 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 436.46 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 2962157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).