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

C9H11F3N2S — CID 106784470

IUPAC4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCC(=CCCN)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2S/c1-6(3-2-4-13)7-5-14-8(15-7)9(10,11)12/h3,5H,2,4,13H2,1H3
InChIKeyIUFFULNFSMYCLX-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.91
Rot. Bonds3

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

4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (PubChem CID 106784470) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
PubChem CID106784470
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCC(=CCCN)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2S/c1-6(3-2-4-13)7-5-14-8(15-7)9(10,11)12/h3,5H,2,4,13H2,1H3
InChIKeyIUFFULNFSMYCLX-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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]ethanamine
CID 84770832
2-[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 84772381
2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84776936
3-[5-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 84779109
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The IUPAC name of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (CID 106784470) is 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is CC(=CCCN)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The InChIKey is IUFFULNFSMYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c1-6(3-2-4-13)7-5-14-8(15-7)9(10,11)12/h3,5H,2,4,13H2,1H3.
What are the key properties of 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine has a molecular weight of 236.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is sourced from PubChem (CID 106784470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).