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

C6H9F2N3S — CID 102769071

IUPAC2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
SMILESCN(CC(F)F)c1ncc(N)s1
InChIInChI=1S/C6H9F2N3S/c1-11(3-4(7)8)6-10-2-5(9)12-6/h2,4H,3,9H2,1H3
InChIKeyZXUNIFSIGDGKFL-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.43
Rot. Bonds3

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

2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine (PubChem CID 102769071) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
PubChem CID102769071
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC Name2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
SMILESCN(CC(F)F)c1ncc(N)s1
InChIInChI=1S/C6H9F2N3S/c1-11(3-4(7)8)6-10-2-5(9)12-6/h2,4H,3,9H2,1H3
InChIKeyZXUNIFSIGDGKFL-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 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine (CID 102769071) is 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine is CN(CC(F)F)c1ncc(N)s1.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
The InChIKey is ZXUNIFSIGDGKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-11(3-4(7)8)6-10-2-5(9)12-6/h2,4H,3,9H2,1H3.
What are the key properties of 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine?
2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-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 2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102769071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).