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

C6H9F2N3S — CID 103365695

IUPAC5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)F)c1cc(N)ns1
InChIInChI=1S/C6H9F2N3S/c1-11(3-4(7)8)6-2-5(9)10-12-6/h2,4H,3H2,1H3,(H2,9,10)
InChIKeyVEOQFSRFWMEVBP-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.43
Rot. Bonds3

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

5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103365695) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103365695
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC Name5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)F)c1cc(N)ns1
InChIInChI=1S/C6H9F2N3S/c1-11(3-4(7)8)6-2-5(9)10-12-6/h2,4H,3H2,1H3,(H2,9,10)
InChIKeyVEOQFSRFWMEVBP-UHFFFAOYSA-N
XLogP1.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103365695) is 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine is CN(CC(F)F)c1cc(N)ns1.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is VEOQFSRFWMEVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-11(3-4(7)8)6-2-5(9)10-12-6/h2,4H,3H2,1H3,(H2,9,10).
What are the key properties of 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 193.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).