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

C10H15FN2OS — CID 126856226

IUPAC(3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
SMILESCc1nc(CN(C)[C@@H]2COC[C@H]2F)cs1
InChIInChI=1S/C10H15FN2OS/c1-7-12-8(6-15-7)3-13(2)10-5-14-4-9(10)11/h6,9-10H,3-5H2,1-2H3/t9-,10-/m1/s1
InChIKeyXUXPPUBNUKZSHI-NXEZZACHSA-N
MW230.31 g/mol
LogP1.62
Rot. Bonds3

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

(3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine (PubChem CID 126856226) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
PubChem CID126856226
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name(3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
SMILESCc1nc(CN(C)[C@@H]2COC[C@H]2F)cs1
InChIInChI=1S/C10H15FN2OS/c1-7-12-8(6-15-7)3-13(2)10-5-14-4-9(10)11/h6,9-10H,3-5H2,1-2H3/t9-,10-/m1/s1
InChIKeyXUXPPUBNUKZSHI-NXEZZACHSA-N
XLogP1.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine (CID 126856226) is (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine is Cc1nc(CN(C)[C@@H]2COC[C@H]2F)cs1.
What is the InChIKey of (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
The InChIKey is XUXPPUBNUKZSHI-NXEZZACHSA-N. The full InChI is InChI=1S/C10H15FN2OS/c1-7-12-8(6-15-7)3-13(2)10-5-14-4-9(10)11/h6,9-10H,3-5H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine?
(3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine has a molecular weight of 230.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 126856226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).