2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol

C15H14F3N3OS2 — CID 170892185

IUPAC2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol
SMILESNC(CO)Cc1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12
InChIInChI=1S/C15H14F3N3OS2/c16-15(17,18)9-2-1-3-11(6-9)24-13-12(7-10(19)8-22)21-4-5-23-14(21)20-13/h1-6,10,22H,7-8,19H2
InChIKeyKGXKNLLULAHUQW-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.43
Rot. Bonds5

About 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol

2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol (PubChem CID 170892185) has the molecular formula C15H14F3N3OS2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol
PubChem CID170892185
Molecular FormulaC15H14F3N3OS2
Molecular Weight373.43 g/mol
Exact Mass373.05
IUPAC Name2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol
SMILESNC(CO)Cc1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12
InChIInChI=1S/C15H14F3N3OS2/c16-15(17,18)9-2-1-3-11(6-9)24-13-12(7-10(19)8-22)21-4-5-23-14(21)20-13/h1-6,10,22H,7-8,19H2
InChIKeyKGXKNLLULAHUQW-UHFFFAOYSA-N
XLogP3.43
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(3-bromophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 63807247
1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63819682
1-[6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63820287
[6-(2-methylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63809988
[6-(2-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 55239467
[6-(2,5-dimethylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63806552
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
2-[2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]acetate
CID 6947877
2-[(Z)-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57395520
7-ethylsulfanyl-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469467
(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 63813355

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol (CID 170892185) is 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol is NC(CO)Cc1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12.
What is the InChIKey of 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol?
The InChIKey is KGXKNLLULAHUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3OS2/c16-15(17,18)9-2-1-3-11(6-9)24-13-12(7-10(19)8-22)21-4-5-23-14(21)20-13/h1-6,10,22H,7-8,19H2.
What are the key properties of 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol?
2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol has a molecular weight of 373.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 170892185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).