(E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one

C17H10F3N3OS — CID 51352961

IUPAC(E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1c(C(F)(F)F)nc2sccn12)c1c[nH]c2ccccc12
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)15-13(23-7-8-25-16(23)22-15)5-6-14(24)11-9-21-12-4-2-1-3-10(11)12/h1-9,21H/b6-5+
InChIKeyZLFQNFWAXRQNAU-AATRIKPKSA-N
MW361.35 g/mol
LogP4.79
Rot. Bonds3

About (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one

(E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one (PubChem CID 51352961) has the molecular formula C17H10F3N3OS and a molecular weight of 361.35 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
PubChem CID51352961
Molecular FormulaC17H10F3N3OS
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC Name(E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1c(C(F)(F)F)nc2sccn12)c1c[nH]c2ccccc12
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)15-13(23-7-8-25-16(23)22-15)5-6-14(24)11-9-21-12-4-2-1-3-10(11)12/h1-9,21H/b6-5+
InChIKeyZLFQNFWAXRQNAU-AATRIKPKSA-N
XLogP4.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one (CID 51352961) is (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one is O=C(/C=C/c1c(C(F)(F)F)nc2sccn12)c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The InChIKey is ZLFQNFWAXRQNAU-AATRIKPKSA-N. The full InChI is InChI=1S/C17H10F3N3OS/c18-17(19,20)15-13(23-7-8-25-16(23)22-15)5-6-14(24)11-9-21-12-4-2-1-3-10(11)12/h1-9,21H/b6-5+.
What are the key properties of (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
(E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one has a molecular weight of 361.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one is sourced from PubChem (CID 51352961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).