(2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine

C15H22FN5OS — CID 164638860

IUPAC(2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine
SMILESCc1ncsc1-c1nnc(N2CCO[C@@H](CF)C2)n1CC(C)C
InChIInChI=1S/C15H22FN5OS/c1-10(2)7-21-14(13-11(3)17-9-23-13)18-19-15(21)20-4-5-22-12(6-16)8-20/h9-10,12H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyZNYDMYBPMFTALU-LBPRGKRZSA-N
MW339.44 g/mol
LogP2.54
Rot. Bonds5

About (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine

(2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 164638860) has the molecular formula C15H22FN5OS and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine
PubChem CID164638860
Molecular FormulaC15H22FN5OS
Molecular Weight339.44 g/mol
Exact Mass339.15
IUPAC Name(2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine
SMILESCc1ncsc1-c1nnc(N2CCO[C@@H](CF)C2)n1CC(C)C
InChIInChI=1S/C15H22FN5OS/c1-10(2)7-21-14(13-11(3)17-9-23-13)18-19-15(21)20-4-5-22-12(6-16)8-20/h9-10,12H,4-8H2,1-3H3/t12-/m0/s1
InChIKeyZNYDMYBPMFTALU-LBPRGKRZSA-N
XLogP2.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol
CID 131907874
5-[5-[(3S)-3-(methoxymethyl)piperidin-1-yl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
CID 164629889
4-Methyl-5-[5-[(1-methylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 72909319
N-methyl-5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-4-(oxolan-3-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 167810515
3-Fluoro-1-[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-4-(oxolan-3-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carbonitrile
CID 167830696
[5-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 55249771
5-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 62793997
2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 100695022
4-(2-Methoxyethyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 104018292
4-(2-Methoxyethyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazole-3-sulfonamide
CID 104020478
5-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-2,4-dimethyl-1,3-thiazole
CID 108064523
5-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
CID 115393667

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine (CID 164638860) is (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine is Cc1ncsc1-c1nnc(N2CCO[C@@H](CF)C2)n1CC(C)C.
What is the InChIKey of (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is ZNYDMYBPMFTALU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22FN5OS/c1-10(2)7-21-14(13-11(3)17-9-23-13)18-19-15(21)20-4-5-22-12(6-16)8-20/h9-10,12H,4-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine?
(2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 339.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 164638860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).