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

C13H19F3N2S — CID 106784483

IUPAC(Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2S/c1-9(2)7-17-6-4-5-10(3)11-8-18-12(19-11)13(14,15)16/h5,8-9,17H,4,6-7H2,1-3H3/b10-5-
InChIKeyHIVAALNGKYBWDN-YHYXMXQVSA-N
MW292.37 g/mol
LogP4.20
Rot. Bonds6

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

(Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (PubChem CID 106784483) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
PubChem CID106784483
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC Name(Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H19F3N2S/c1-9(2)7-17-6-4-5-10(3)11-8-18-12(19-11)13(14,15)16/h5,8-9,17H,4,6-7H2,1-3H3/b10-5-
InChIKeyHIVAALNGKYBWDN-YHYXMXQVSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.20
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 (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (CID 106784483) is (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is C/C(=C/CCNCC(C)C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The InChIKey is HIVAALNGKYBWDN-YHYXMXQVSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-9(2)7-17-6-4-5-10(3)11-8-18-12(19-11)13(14,15)16/h5,8-9,17H,4,6-7H2,1-3H3/b10-5-.
What are the key properties of (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
(Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is sourced from PubChem (CID 106784483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).