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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Related Compounds

N-methyl-1-[2-[(1E,3Z)-6,6,6-trifluoro-1-(methylideneamino)hexa-1,3-dien-2-yl]-1,3-thiazol-5-yl]ethanamine
CID 130390600
N-methyl-1-[2-[(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-yl]-1,3-thiazol-5-yl]propan-1-amine
CID 130390607
[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane
CID 167503536
5-[2-(Azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole
CID 171093011
5-(3-Methylbut-2-en-2-yl)-2-propyl-1,3-thiazole
CID 101848667
2-methyl-N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 106784075
5-(1,2,3,6-Tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784090
5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784091
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclohex-2-en-1-amine
CID 106784192
3-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopent-2-en-1-amine
CID 106784194
5-(5-Chloropent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784468
5-(5-Bromopent-2-en-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784469

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).