5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole

C7H9F2NS2 — CID 152582647

IUPAC5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole
SMILESCCC(Sc1cncs1)C(F)F
InChIInChI=1S/C7H9F2NS2/c1-2-5(7(8)9)12-6-3-10-4-11-6/h3-5,7H,2H2,1H3
InChIKeyYTUOQQXSWYTLBP-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.28
Rot. Bonds4

About 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole

5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole (PubChem CID 152582647) has the molecular formula C7H9F2NS2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole
PubChem CID152582647
Molecular FormulaC7H9F2NS2
Molecular Weight209.29 g/mol
Exact Mass209.01
IUPAC Name5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole
SMILESCCC(Sc1cncs1)C(F)F
InChIInChI=1S/C7H9F2NS2/c1-2-5(7(8)9)12-6-3-10-4-11-6/h3-5,7H,2H2,1H3
InChIKeyYTUOQQXSWYTLBP-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole (CID 152582647) is 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole is CCC(Sc1cncs1)C(F)F.
What is the InChIKey of 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole?
The InChIKey is YTUOQQXSWYTLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NS2/c1-2-5(7(8)9)12-6-3-10-4-11-6/h3-5,7H,2H2,1H3.
What are the key properties of 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole?
5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole has a molecular weight of 209.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluorobutan-2-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 152582647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).