5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine

C6H8F2N2S2 — CID 60922403

IUPAC5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCC(F)F
InChIInChI=1S/C6H8F2N2S2/c1-3-5(11-2-4(7)8)12-6(9)10-3/h4H,2H2,1H3,(H2,9,10)
InChIKeyMJQRGKFXVVHGRM-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.39
Rot. Bonds3

About 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine

5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 60922403) has the molecular formula C6H8F2N2S2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID60922403
Molecular FormulaC6H8F2N2S2
Molecular Weight210.27 g/mol
Exact Mass210.01
IUPAC Name5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCC(F)F
InChIInChI=1S/C6H8F2N2S2/c1-3-5(11-2-4(7)8)12-6(9)10-3/h4H,2H2,1H3,(H2,9,10)
InChIKeyMJQRGKFXVVHGRM-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine (CID 60922403) is 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1SCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is MJQRGKFXVVHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S2/c1-3-5(11-2-4(7)8)12-6(9)10-3/h4H,2H2,1H3,(H2,9,10).
What are the key properties of 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 210.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 60922403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).