(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide

C15H10ClF2N3OS2 — CID 2348694

IUPAC(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H10ClF2N3OS2/c16-13-11(21-7-8-23-15(21)20-13)5-6-12(22)19-9-1-3-10(4-2-9)24-14(17)18/h1-8,14H,(H,19,22)/b6-5+
InChIKeyFNDNJGUYLGQOTA-AATRIKPKSA-N
MW385.85 g/mol
LogP5.02
Rot. Bonds5

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide (PubChem CID 2348694) has the molecular formula C15H10ClF2N3OS2 and a molecular weight of 385.85 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
PubChem CID2348694
Molecular FormulaC15H10ClF2N3OS2
Molecular Weight385.85 g/mol
Exact Mass384.99
IUPAC Name(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H10ClF2N3OS2/c16-13-11(21-7-8-23-15(21)20-13)5-6-12(22)19-9-1-3-10(4-2-9)24-14(17)18/h1-8,14H,(H,19,22)/b6-5+
InChIKeyFNDNJGUYLGQOTA-AATRIKPKSA-N
XLogP5.02
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide (CID 2348694) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide is O=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The InChIKey is FNDNJGUYLGQOTA-AATRIKPKSA-N. The full InChI is InChI=1S/C15H10ClF2N3OS2/c16-13-11(21-7-8-23-15(21)20-13)5-6-12(22)19-9-1-3-10(4-2-9)24-14(17)18/h1-8,14H,(H,19,22)/b6-5+.
What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide has a molecular weight of 385.85 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide is sourced from PubChem (CID 2348694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).