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

C5H6F3N3S — CID 102767283

IUPAC2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCC(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)2-11-4-10-1-3(9)12-4/h1H,2,9H2,(H,10,11)
InChIKeyVJNNNPVZXAAJFF-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.70
Rot. Bonds2

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

2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (PubChem CID 102767283) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
PubChem CID102767283
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC Name2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCC(F)(F)F)s1
InChIInChI=1S/C5H6F3N3S/c6-5(7,8)2-11-4-10-1-3(9)12-4/h1H,2,9H2,(H,10,11)
InChIKeyVJNNNPVZXAAJFF-UHFFFAOYSA-N
XLogP1.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine (CID 102767283) is 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is Nc1cnc(NCC(F)(F)F)s1.
What is the InChIKey of 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is VJNNNPVZXAAJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c6-5(7,8)2-11-4-10-1-3(9)12-4/h1H,2,9H2,(H,10,11).
What are the key properties of 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine?
2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 197.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102767283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).