5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C7H10F3N3S — CID 103360596

IUPAC5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-4-5(11)12-14-6(4)13(2)3-7(8,9)10/h3H2,1-2H3,(H2,11,12)
InChIKeyGJFIUABLPCGQDW-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.03
Rot. Bonds2

About 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360596) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360596
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C7H10F3N3S/c1-4-5(11)12-14-6(4)13(2)3-7(8,9)10/h3H2,1-2H3,(H2,11,12)
InChIKeyGJFIUABLPCGQDW-UHFFFAOYSA-N
XLogP2.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360596) is 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1N(C)CC(F)(F)F.
What is the InChIKey of 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is GJFIUABLPCGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-4-5(11)12-14-6(4)13(2)3-7(8,9)10/h3H2,1-2H3,(H2,11,12).
What are the key properties of 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 225.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).