3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile

C8H9F3N4S — CID 103379711

IUPAC3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCCN(CC(F)(F)F)c1snc(N)c1C#N
InChIInChI=1S/C8H9F3N4S/c1-2-15(4-8(9,10)11)7-5(3-12)6(13)14-16-7/h2,4H2,1H3,(H2,13,14)
InChIKeyKUBPIGVZOOSHHI-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.99
Rot. Bonds3

About 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile

3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103379711) has the molecular formula C8H9F3N4S and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103379711
Molecular FormulaC8H9F3N4S
Molecular Weight250.25 g/mol
Exact Mass250.05
IUPAC Name3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCCN(CC(F)(F)F)c1snc(N)c1C#N
InChIInChI=1S/C8H9F3N4S/c1-2-15(4-8(9,10)11)7-5(3-12)6(13)14-16-7/h2,4H2,1H3,(H2,13,14)
InChIKeyKUBPIGVZOOSHHI-UHFFFAOYSA-N
XLogP1.99
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile (CID 103379711) is 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile is CCN(CC(F)(F)F)c1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is KUBPIGVZOOSHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4S/c1-2-15(4-8(9,10)11)7-5(3-12)6(13)14-16-7/h2,4H2,1H3,(H2,13,14).
What are the key properties of 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 250.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103379711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).