2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine

C10H15FN2OS — CID 126857072

IUPAC2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine
SMILESCc1nc(CNC2CCCOC2F)cs1
InChIInChI=1S/C10H15FN2OS/c1-7-13-8(6-15-7)5-12-9-3-2-4-14-10(9)11/h6,9-10,12H,2-5H2,1H3
InChIKeyJDRFPHLTNAVLNX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.02
Rot. Bonds3

About 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine

2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine (PubChem CID 126857072) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine
PubChem CID126857072
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine
SMILESCc1nc(CNC2CCCOC2F)cs1
InChIInChI=1S/C10H15FN2OS/c1-7-13-8(6-15-7)5-12-9-3-2-4-14-10(9)11/h6,9-10,12H,2-5H2,1H3
InChIKeyJDRFPHLTNAVLNX-UHFFFAOYSA-N
XLogP2.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine?
The IUPAC name of 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine (CID 126857072) is 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine.
What is the SMILES notation for 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine?
The canonical SMILES for 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine is Cc1nc(CNC2CCCOC2F)cs1.
What is the InChIKey of 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine?
The InChIKey is JDRFPHLTNAVLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2OS/c1-7-13-8(6-15-7)5-12-9-3-2-4-14-10(9)11/h6,9-10,12H,2-5H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine?
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-3-amine is sourced from PubChem (CID 126857072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).