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

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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).