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

C5H4ClF2NS — CID 155822051

IUPAC2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1cnc(Cl)s1
InChIInChI=1S/C5H4ClF2NS/c1-5(7,8)3-2-9-4(6)10-3/h2H,1H3
InChIKeyHYBHQMGWMPFPRW-UHFFFAOYSA-N
MW183.61 g/mol
LogP2.91
Rot. Bonds1

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

2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole (PubChem CID 155822051) has the molecular formula C5H4ClF2NS and a molecular weight of 183.61 g/mol. Its IUPAC name is 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole
PubChem CID155822051
Molecular FormulaC5H4ClF2NS
Molecular Weight183.61 g/mol
Exact Mass182.97
IUPAC Name2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1cnc(Cl)s1
InChIInChI=1S/C5H4ClF2NS/c1-5(7,8)3-2-9-4(6)10-3/h2H,1H3
InChIKeyHYBHQMGWMPFPRW-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
5-Ethylthiazole
CID 519456
2-Chloro-5-methyl-1,3-thiazole
CID 10997083
5-(Trifluoromethyl)-1,3-thiazole
CID 21750335
2-Bromo-5-(1,1-difluoroethyl)-1,3-thiazole
CID 84792019
2-Bromo-5-ethyl-1,3-thiazole
CID 19369685
2-Fluoro-5-methyl-1,3-thiazole
CID 20691940
2-Chloro-5-(1-chloroethyl)thiazole
CID 21698297
2-Chloro-5-ethylthiazole
CID 22969193
2-Chloro-5-(trifluoromethyl)-1,3-thiazole
CID 68281854
2-(Bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole
CID 166088000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole (CID 155822051) is 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole is CC(F)(F)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole?
The InChIKey is HYBHQMGWMPFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2NS/c1-5(7,8)3-2-9-4(6)10-3/h2H,1H3.
What are the key properties of 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole?
2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole has a molecular weight of 183.61 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,1-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 155822051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).