2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C15H14F5N3OS2 — CID 126710479

IUPAC2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3cccc(S(F)(F)(F)(F)F)c3)c(C)nc2s1
InChIInChI=1S/C15H14F5N3OS2/c1-9-8-23-13(10(2)22-15(23)25-9)14(24)21-7-11-4-3-5-12(6-11)26(16,17,18,19)20/h3-6,8H,7H2,1-2H3,(H,21,24)
InChIKeyYSTIVKLFWVUKBG-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.60
Rot. Bonds4

About 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 126710479) has the molecular formula C15H14F5N3OS2 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID126710479
Molecular FormulaC15H14F5N3OS2
Molecular Weight411.42 g/mol
Exact Mass411.05
IUPAC Name2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3cccc(S(F)(F)(F)(F)F)c3)c(C)nc2s1
InChIInChI=1S/C15H14F5N3OS2/c1-9-8-23-13(10(2)22-15(23)25-9)14(24)21-7-11-4-3-5-12(6-11)26(16,17,18,19)20/h3-6,8H,7H2,1-2H3,(H,21,24)
InChIKeyYSTIVKLFWVUKBG-UHFFFAOYSA-N
XLogP5.60
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

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Related Compounds

2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 126710536
N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264350
2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118267882
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264362
2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;1-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-one;[4-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
CID 158107208
2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264369
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264310
2,6-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274322
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264313
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)methanamine
CID 43625818
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264341
2-fluoro-6-methyl-N-[[4-(4-oxopiperidin-1-yl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 135193987

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 126710479) is 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3cccc(S(F)(F)(F)(F)F)c3)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is YSTIVKLFWVUKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5N3OS2/c1-9-8-23-13(10(2)22-15(23)25-9)14(24)21-7-11-4-3-5-12(6-11)26(16,17,18,19)20/h3-6,8H,7H2,1-2H3,(H,21,24).
What are the key properties of 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 126710479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).