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

C12H17F3N2S — CID 106784480

IUPAC(Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2S/c1-3-6-16-7-4-5-9(2)10-8-17-11(18-10)12(13,14)15/h5,8,16H,3-4,6-7H2,1-2H3/b9-5-
InChIKeyDZMLAWGUJPAMFL-UITAMQMPSA-N
MW278.34 g/mol
LogP3.95
Rot. Bonds6

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

(Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (PubChem CID 106784480) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
PubChem CID106784480
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC Name(Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2S/c1-3-6-16-7-4-5-9(2)10-8-17-11(18-10)12(13,14)15/h5,8,16H,3-4,6-7H2,1-2H3/b9-5-
InChIKeyDZMLAWGUJPAMFL-UITAMQMPSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.95
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
5-[(1E,3E)-2,3-difluoropenta-1,3-dienyl]-2-methyl-1,3-thiazole
CID 145018659
2-(1,1-Difluoroethyl)-5-prop-1-en-2-yl-1,3-thiazole
CID 156717485
[(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-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84776936
2-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84779118
3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 84787493
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 105916485
N-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106784070

Frequently Asked Questions

What is the IUPAC name of (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (CID 106784480) is (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is CCCNCC/C=C(/C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The InChIKey is DZMLAWGUJPAMFL-UITAMQMPSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-3-6-16-7-4-5-9(2)10-8-17-11(18-10)12(13,14)15/h5,8,16H,3-4,6-7H2,1-2H3/b9-5-.
What are the key properties of (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
(Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine has a molecular weight of 278.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is sourced from PubChem (CID 106784480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).