2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole

C5H4ClF2NS — CID 54251704

IUPAC2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole
SMILESFC(F)Cc1cnc(Cl)s1
InChIInChI=1S/C5H4ClF2NS/c6-5-9-2-3(10-5)1-4(7)8/h2,4H,1H2
InChIKeyGYTMBKGRLMZHCA-UHFFFAOYSA-N
MW183.61 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole

2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole (PubChem CID 54251704) has the molecular formula C5H4ClF2NS and a molecular weight of 183.61 g/mol. Its IUPAC name is 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole
PubChem CID54251704
Molecular FormulaC5H4ClF2NS
Molecular Weight183.61 g/mol
Exact Mass182.97
IUPAC Name2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole
SMILESFC(F)Cc1cnc(Cl)s1
InChIInChI=1S/C5H4ClF2NS/c6-5-9-2-3(10-5)1-4(7)8/h2,4H,1H2
InChIKeyGYTMBKGRLMZHCA-UHFFFAOYSA-N
XLogP2.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole (CID 54251704) is 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole is FC(F)Cc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole?
The InChIKey is GYTMBKGRLMZHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2NS/c6-5-9-2-3(10-5)1-4(7)8/h2,4H,1H2.
What are the key properties of 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole?
2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole has a molecular weight of 183.61 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 54251704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).