N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

C19H24FN3O2S — CID 91426210

IUPACN-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C19H24FN3O2S/c1-11(2)17(24)22-19-21-16(14-5-7-15(20)8-6-14)18(26-19)23-9-12(3)25-13(4)10-23/h5-8,11-13H,9-10H2,1-4H3,(H,21,22,24)/t12-,13+
InChIKeyCFHOWBCEWKUZJO-BETUJISGSA-N
MW377.49 g/mol
LogP4.16
Rot. Bonds4

About N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 91426210) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID91426210
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC NameN-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C19H24FN3O2S/c1-11(2)17(24)22-19-21-16(14-5-7-15(20)8-6-14)18(26-19)23-9-12(3)25-13(4)10-23/h5-8,11-13H,9-10H2,1-4H3,(H,21,22,24)/t12-,13+
InChIKeyCFHOWBCEWKUZJO-BETUJISGSA-N
XLogP4.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 91426210) is N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2C[C@@H](C)O[C@@H](C)C2)s1.
What is the InChIKey of N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is CFHOWBCEWKUZJO-BETUJISGSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-11(2)17(24)22-19-21-16(14-5-7-15(20)8-6-14)18(26-19)23-9-12(3)25-13(4)10-23/h5-8,11-13H,9-10H2,1-4H3,(H,21,22,24)/t12-,13+.
What are the key properties of N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 377.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 91426210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).