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

C15H10ClF2N3OS2 — CID 4533668

IUPAC3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1c(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)
InChIKeyFNDNJGUYLGQOTA-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.02
Rot. Bonds5

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

3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide (PubChem CID 4533668) has the molecular formula C15H10ClF2N3OS2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
PubChem CID4533668
Molecular FormulaC15H10ClF2N3OS2
Molecular Weight385.85 g/mol
Exact Mass384.99
IUPAC Name3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1c(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)
InChIKeyFNDNJGUYLGQOTA-UHFFFAOYSA-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 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide (CID 4533668) is 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide is O=C(C=Cc1c(Cl)nc2sccn12)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
The InChIKey is FNDNJGUYLGQOTA-UHFFFAOYSA-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).
What are the key properties of 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide?
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 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide is sourced from PubChem (CID 4533668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).