5-(1,1-difluoropropyl)-1,3-thiazole

C6H7F2NS — CID 156707818

IUPAC5-(1,1-difluoropropyl)-1,3-thiazole
SMILESCCC(F)(F)c1cncs1
InChIInChI=1S/C6H7F2NS/c1-2-6(7,8)5-3-9-4-10-5/h3-4H,2H2,1H3
InChIKeyZLDPNXDLWNZXMG-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.64
Rot. Bonds2

About 5-(1,1-difluoropropyl)-1,3-thiazole

5-(1,1-difluoropropyl)-1,3-thiazole (PubChem CID 156707818) has the molecular formula C6H7F2NS and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-1,3-thiazole
PubChem CID156707818
Molecular FormulaC6H7F2NS
Molecular Weight163.19 g/mol
Exact Mass163.03
IUPAC Name5-(1,1-difluoropropyl)-1,3-thiazole
SMILESCCC(F)(F)c1cncs1
InChIInChI=1S/C6H7F2NS/c1-2-6(7,8)5-3-9-4-10-5/h3-4H,2H2,1H3
InChIKeyZLDPNXDLWNZXMG-UHFFFAOYSA-N
XLogP2.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethylthiazole
CID 519456
2-Bromo-5-(1,1-difluoroethyl)-1,3-thiazole
CID 84792019
2,5-Dipropylthiazole
CID 588151
Thiazole, 5-propyl-
CID 40379
2-Chloro-5-ethylthiazole
CID 22969193
2-Chloro-5-(1,1-difluoroethyl)-1,3-thiazole
CID 155822051
2-(Bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole
CID 166088000
2-Methyl-5-propylthiazole
CID 574547
5-Ethyl-2-(methylthio)thiazole
CID 20577908
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-Ethyl-2-fluoro-1,3-thiazole
CID 21030403
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoropropyl)-1,3-thiazole (CID 156707818) is 5-(1,1-difluoropropyl)-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoropropyl)-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoropropyl)-1,3-thiazole is CCC(F)(F)c1cncs1.
What is the InChIKey of 5-(1,1-difluoropropyl)-1,3-thiazole?
The InChIKey is ZLDPNXDLWNZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NS/c1-2-6(7,8)5-3-9-4-10-5/h3-4H,2H2,1H3.
What are the key properties of 5-(1,1-difluoropropyl)-1,3-thiazole?
5-(1,1-difluoropropyl)-1,3-thiazole has a molecular weight of 163.19 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-1,3-thiazole is sourced from PubChem (CID 156707818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).