1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine

C9H12F2N2S — CID 131007624

IUPAC1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
SMILESCNC(c1ccsn1)C1CC(F)(F)C1
InChIInChI=1S/C9H12F2N2S/c1-12-8(7-2-3-14-13-7)6-4-9(10,11)5-6/h2-3,6,8,12H,4-5H2,1H3
InChIKeyXGSOYIKIVGOTOT-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.45
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine

1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine (PubChem CID 131007624) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
PubChem CID131007624
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
SMILESCNC(c1ccsn1)C1CC(F)(F)C1
InChIInChI=1S/C9H12F2N2S/c1-12-8(7-2-3-14-13-7)6-4-9(10,11)5-6/h2-3,6,8,12H,4-5H2,1H3
InChIKeyXGSOYIKIVGOTOT-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine (CID 131007624) is 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine is CNC(c1ccsn1)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The InChIKey is XGSOYIKIVGOTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c1-12-8(7-2-3-14-13-7)6-4-9(10,11)5-6/h2-3,6,8,12H,4-5H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine?
1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine has a molecular weight of 218.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 131007624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).