4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine

C10H15F3N2S — CID 79823585

IUPAC4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCCNC(Cc1nccs1)CC(F)(F)F
InChIInChI=1S/C10H15F3N2S/c1-2-3-14-8(7-10(11,12)13)6-9-15-4-5-16-9/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyGVQZBNZGGQGPPE-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.01
Rot. Bonds6

About 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine

4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 79823585) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID79823585
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCCNC(Cc1nccs1)CC(F)(F)F
InChIInChI=1S/C10H15F3N2S/c1-2-3-14-8(7-10(11,12)13)6-9-15-4-5-16-9/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyGVQZBNZGGQGPPE-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine (CID 79823585) is 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine is CCCNC(Cc1nccs1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is GVQZBNZGGQGPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-2-3-14-8(7-10(11,12)13)6-9-15-4-5-16-9/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine?
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 252.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 79823585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).