4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine

C11H17F3N4S — CID 43753144

IUPAC4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
SMILESNCCC(N1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)9(1-2-15)17-4-6-18(7-5-17)10-16-3-8-19-10/h3,8-9H,1-2,4-7,15H2
InChIKeyYGZDRGOYLFAQHN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds4

About 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine

4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine (PubChem CID 43753144) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
PubChem CID43753144
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
SMILESNCCC(N1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)9(1-2-15)17-4-6-18(7-5-17)10-16-3-8-19-10/h3,8-9H,1-2,4-7,15H2
InChIKeyYGZDRGOYLFAQHN-UHFFFAOYSA-N
XLogP1.54
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine (CID 43753144) is 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine is NCCC(N1CCN(c2nccs2)CC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine?
The InChIKey is YGZDRGOYLFAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c12-11(13,14)9(1-2-15)17-4-6-18(7-5-17)10-16-3-8-19-10/h3,8-9H,1-2,4-7,15H2.
What are the key properties of 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine?
4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine has a molecular weight of 294.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 43753144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).