1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one

C16H9F5N2OS — CID 70896683

IUPAC1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
SMILESCc1cn2c(C=CC(=O)c3cc(F)cc(F)c3)c(C(F)(F)F)nc2s1
InChIInChI=1S/C16H9F5N2OS/c1-8-7-23-12(14(16(19,20)21)22-15(23)25-8)2-3-13(24)9-4-10(17)6-11(18)5-9/h2-7H,1H3
InChIKeyUMGJUAUWXAMCQW-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.90
Rot. Bonds3

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

1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one (PubChem CID 70896683) has the molecular formula C16H9F5N2OS and a molecular weight of 372.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
PubChem CID70896683
Molecular FormulaC16H9F5N2OS
Molecular Weight372.32 g/mol
Exact Mass372.04
IUPAC Name1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
SMILESCc1cn2c(C=CC(=O)c3cc(F)cc(F)c3)c(C(F)(F)F)nc2s1
InChIInChI=1S/C16H9F5N2OS/c1-8-7-23-12(14(16(19,20)21)22-15(23)25-8)2-3-13(24)9-4-10(17)6-11(18)5-9/h2-7H,1H3
InChIKeyUMGJUAUWXAMCQW-UHFFFAOYSA-N
XLogP4.90
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.90
H-Bond Donors ≤ 50
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 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one (CID 70896683) is 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one is Cc1cn2c(C=CC(=O)c3cc(F)cc(F)c3)c(C(F)(F)F)nc2s1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
The InChIKey is UMGJUAUWXAMCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N2OS/c1-8-7-23-12(14(16(19,20)21)22-15(23)25-8)2-3-13(24)9-4-10(17)6-11(18)5-9/h2-7H,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one?
1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one has a molecular weight of 372.32 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one is sourced from PubChem (CID 70896683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).