(2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine

C9H13FN2OS — CID 129348616

IUPAC(2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1cnc(N2CCO[C@H](CF)C2)s1
InChIInChI=1S/C9H13FN2OS/c1-7-5-11-9(14-7)12-2-3-13-8(4-10)6-12/h5,8H,2-4,6H2,1H3/t8-/m1/s1
InChIKeySSRMXOPIOAKXPK-MRVPVSSYSA-N
MW216.28 g/mol
LogP1.63
Rot. Bonds2

About (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine

(2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 129348616) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID129348616
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name(2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1cnc(N2CCO[C@H](CF)C2)s1
InChIInChI=1S/C9H13FN2OS/c1-7-5-11-9(14-7)12-2-3-13-8(4-10)6-12/h5,8H,2-4,6H2,1H3/t8-/m1/s1
InChIKeySSRMXOPIOAKXPK-MRVPVSSYSA-N
XLogP1.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine (CID 129348616) is (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine is Cc1cnc(N2CCO[C@H](CF)C2)s1.
What is the InChIKey of (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is SSRMXOPIOAKXPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-7-5-11-9(14-7)12-2-3-13-8(4-10)6-12/h5,8H,2-4,6H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine?
(2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 216.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-4-(5-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 129348616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).