2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole

C7H6ClF2NS — CID 150341390

IUPAC2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole
SMILESFC(F)=CCCc1cnc(Cl)s1
InChIInChI=1S/C7H6ClF2NS/c8-7-11-4-5(12-7)2-1-3-6(9)10/h3-4H,1-2H2
InChIKeyGRTYOROPUPSFBZ-UHFFFAOYSA-N
MW209.65 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole

2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole (PubChem CID 150341390) has the molecular formula C7H6ClF2NS and a molecular weight of 209.65 g/mol. Its IUPAC name is 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole
PubChem CID150341390
Molecular FormulaC7H6ClF2NS
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Name2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole
SMILESFC(F)=CCCc1cnc(Cl)s1
InChIInChI=1S/C7H6ClF2NS/c8-7-11-4-5(12-7)2-1-3-6(9)10/h3-4H,1-2H2
InChIKeyGRTYOROPUPSFBZ-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole (CID 150341390) is 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole is FC(F)=CCCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole?
The InChIKey is GRTYOROPUPSFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NS/c8-7-11-4-5(12-7)2-1-3-6(9)10/h3-4H,1-2H2.
What are the key properties of 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole?
2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole has a molecular weight of 209.65 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,4-difluorobut-3-enyl)-1,3-thiazole is sourced from PubChem (CID 150341390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).