(5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole

C7H5BrFNS — CID 171093853

IUPAC(5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole
SMILESC=C(F)/C(Br)=c1/scnc1=C
InChIInChI=1S/C7H5BrFNS/c1-4(9)6(8)7-5(2)10-3-11-7/h3H,1-2H2/b7-6-
InChIKeyQYJLTBPLDBKIQC-SREVYHEPSA-N
MW234.09 g/mol
LogP1.54
Rot. Bonds1

About (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole

(5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole (PubChem CID 171093853) has the molecular formula C7H5BrFNS and a molecular weight of 234.09 g/mol. Its IUPAC name is (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole
PubChem CID171093853
Molecular FormulaC7H5BrFNS
Molecular Weight234.09 g/mol
Exact Mass232.93
IUPAC Name(5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole
SMILESC=C(F)/C(Br)=c1/scnc1=C
InChIInChI=1S/C7H5BrFNS/c1-4(9)6(8)7-5(2)10-3-11-7/h3H,1-2H2/b7-6-
InChIKeyQYJLTBPLDBKIQC-SREVYHEPSA-N
XLogP1.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole?
The IUPAC name of (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole (CID 171093853) is (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole?
The canonical SMILES for (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole is C=C(F)/C(Br)=c1/scnc1=C.
What is the InChIKey of (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole?
The InChIKey is QYJLTBPLDBKIQC-SREVYHEPSA-N. The full InChI is InChI=1S/C7H5BrFNS/c1-4(9)6(8)7-5(2)10-3-11-7/h3H,1-2H2/b7-6-.
What are the key properties of (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole?
(5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole has a molecular weight of 234.09 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-bromo-2-fluoroprop-2-enylidene)-4-methylidene-1,3-thiazole is sourced from PubChem (CID 171093853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).