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

C6H8F3N3S — CID 103360598

IUPAC5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)(F)F)c1cc(N)ns1
InChIInChI=1S/C6H8F3N3S/c1-12(3-6(7,8)9)5-2-4(10)11-13-5/h2H,3H2,1H3,(H2,10,11)
InChIKeyGWJBVZILKFUBBS-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.72
Rot. Bonds2

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

5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360598) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360598
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)(F)F)c1cc(N)ns1
InChIInChI=1S/C6H8F3N3S/c1-12(3-6(7,8)9)5-2-4(10)11-13-5/h2H,3H2,1H3,(H2,10,11)
InChIKeyGWJBVZILKFUBBS-UHFFFAOYSA-N
XLogP1.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360699
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360709
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360729
5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361151
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363225
5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363231
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363237
5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
CID 103364768
5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364953
5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364979
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365695
5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942324

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360598) is 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CN(CC(F)(F)F)c1cc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is GWJBVZILKFUBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-12(3-6(7,8)9)5-2-4(10)11-13-5/h2H,3H2,1H3,(H2,10,11).
What are the key properties of 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 211.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).