5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C6H9F2N3S2 — CID 103364760

IUPAC5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(F)F
InChIInChI=1S/C6H9F2N3S2/c1-12-4-5(9)11-13-6(4)10-2-3(7)8/h3,10H,2H2,1H3,(H2,9,11)
InChIKeyGNDIYLKNRXAZHR-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.12
Rot. Bonds4

About 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103364760) has the molecular formula C6H9F2N3S2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103364760
Molecular FormulaC6H9F2N3S2
Molecular Weight225.29 g/mol
Exact Mass225.02
IUPAC Name5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(F)F
InChIInChI=1S/C6H9F2N3S2/c1-12-4-5(9)11-13-6(4)10-2-3(7)8/h3,10H,2H2,1H3,(H2,9,11)
InChIKeyGNDIYLKNRXAZHR-UHFFFAOYSA-N
XLogP2.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103364760) is 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCC(F)F.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is GNDIYLKNRXAZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S2/c1-12-4-5(9)11-13-6(4)10-2-3(7)8/h3,10H,2H2,1H3,(H2,9,11).
What are the key properties of 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 225.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).