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

C5H6F3N3S — CID 84774130

IUPAC4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESNc1nc(CC(F)(F)F)c(N)s1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)1-2-3(9)12-4(10)11-2/h1,9H2,(H2,10,11)
InChIKeyMBJMVSLVJUZCHO-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.41
Rot. Bonds1

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

4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (PubChem CID 84774130) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
PubChem CID84774130
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC Name4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESNc1nc(CC(F)(F)F)c(N)s1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)1-2-3(9)12-4(10)11-2/h1,9H2,(H2,10,11)
InChIKeyMBJMVSLVJUZCHO-UHFFFAOYSA-N
XLogP1.41
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (CID 84774130) is 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is Nc1nc(CC(F)(F)F)c(N)s1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is MBJMVSLVJUZCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c6-5(7,8)1-2-3(9)12-4(10)11-2/h1,9H2,(H2,10,11).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 197.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 84774130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).