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

C8H10F3N3S — CID 103363599

IUPAC4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC(F)(F)F)c1C1CC1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)3-13-7-5(4-1-2-4)6(12)14-15-7/h4,13H,1-3H2,(H2,12,14)
InChIKeyXPQYKJIPABMPNH-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.58
Rot. Bonds3

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

4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363599) has the molecular formula C8H10F3N3S and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103363599
Molecular FormulaC8H10F3N3S
Molecular Weight237.25 g/mol
Exact Mass237.05
IUPAC Name4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC(F)(F)F)c1C1CC1
InChIInChI=1S/C8H10F3N3S/c9-8(10,11)3-13-7-5(4-1-2-4)6(12)14-15-7/h4,13H,1-3H2,(H2,12,14)
InChIKeyXPQYKJIPABMPNH-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103363599) is 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCC(F)(F)F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is XPQYKJIPABMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3S/c9-8(10,11)3-13-7-5(4-1-2-4)6(12)14-15-7/h4,13H,1-3H2,(H2,12,14).
What are the key properties of 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 237.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).