2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C9H13F2N3S — CID 118297236

IUPAC2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(CN)N1CC(F)(F)C1
InChIInChI=1S/C9H13F2N3S/c1-6-8(15-5-13-6)7(2-12)14-3-9(10,11)4-14/h5,7H,2-4,12H2,1H3
InChIKeyOCVBQLOMBZIQLX-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.40
Rot. Bonds3

About 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 118297236) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID118297236
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(CN)N1CC(F)(F)C1
InChIInChI=1S/C9H13F2N3S/c1-6-8(15-5-13-6)7(2-12)14-3-9(10,11)4-14/h5,7H,2-4,12H2,1H3
InChIKeyOCVBQLOMBZIQLX-UHFFFAOYSA-N
XLogP1.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 118297236) is 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1C(CN)N1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is OCVBQLOMBZIQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c1-6-8(15-5-13-6)7(2-12)14-3-9(10,11)4-14/h5,7H,2-4,12H2,1H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 118297236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).