1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine

C9H12F3N3S — CID 82382580

IUPAC1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine
SMILESNC1CN(CCc2ncsc2C(F)(F)F)C1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-7(14-5-16-8)1-2-15-3-6(13)4-15/h5-6H,1-4,13H2
InChIKeyVFBLIHJBGSCAAP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.35
Rot. Bonds3

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

1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine (PubChem CID 82382580) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine
PubChem CID82382580
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine
SMILESNC1CN(CCc2ncsc2C(F)(F)F)C1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-7(14-5-16-8)1-2-15-3-6(13)4-15/h5-6H,1-4,13H2
InChIKeyVFBLIHJBGSCAAP-UHFFFAOYSA-N
XLogP1.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine?
The IUPAC name of 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine (CID 82382580) is 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine?
The canonical SMILES for 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine is NC1CN(CCc2ncsc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine?
The InChIKey is VFBLIHJBGSCAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)8-7(14-5-16-8)1-2-15-3-6(13)4-15/h5-6H,1-4,13H2.
What are the key properties of 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine?
1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine has a molecular weight of 251.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]azetidin-3-amine is sourced from PubChem (CID 82382580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).