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

C11H17F3N4S — CID 103366140

IUPAC3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine
SMILESNCC(CN1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)9(7-15)8-17-2-4-18(5-3-17)10-16-1-6-19-10/h1,6,9H,2-5,7-8,15H2
InChIKeyGEBNDUNBKPZRPL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.40
Rot. Bonds4

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

3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine (PubChem CID 103366140) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine
PubChem CID103366140
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine
SMILESNCC(CN1CCN(c2nccs2)CC1)C(F)(F)F
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)9(7-15)8-17-2-4-18(5-3-17)10-16-1-6-19-10/h1,6,9H,2-5,7-8,15H2
InChIKeyGEBNDUNBKPZRPL-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine (CID 103366140) is 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine is NCC(CN1CCN(c2nccs2)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine?
The InChIKey is GEBNDUNBKPZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c12-11(13,14)9(7-15)8-17-2-4-18(5-3-17)10-16-1-6-19-10/h1,6,9H,2-5,7-8,15H2.
What are the key properties of 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine?
3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine has a molecular weight of 294.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 103366140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).