N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine

C13H19F3N2S — CID 106784482

IUPACN-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2S/c1-9(6-5-7-18-12(2,3)4)10-8-17-11(19-10)13(14,15)16/h6,8,18H,5,7H2,1-4H3
InChIKeySVMHOBHBSJQBJJ-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.34
Rot. Bonds4

About N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine

N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (PubChem CID 106784482) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
PubChem CID106784482
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2S/c1-9(6-5-7-18-12(2,3)4)10-8-17-11(19-10)13(14,15)16/h6,8,18H,5,7H2,1-4H3
InChIKeySVMHOBHBSJQBJJ-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (CID 106784482) is N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is CC(=CCCNC(C)(C)C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The InChIKey is SVMHOBHBSJQBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-9(6-5-7-18-12(2,3)4)10-8-17-11(19-10)13(14,15)16/h6,8,18H,5,7H2,1-4H3.
What are the key properties of N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is sourced from PubChem (CID 106784482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).