(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine

C21H28N4OS — CID 9012646

IUPAC(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
SMILESC[C@H]1CCC[C@H](C)N1/N=C\c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C21H28N4OS/c1-16-7-6-8-17(2)25(16)22-15-19-20(18-9-4-3-5-10-18)23-21(27-19)24-11-13-26-14-12-24/h3-5,9-10,15-17H,6-8,11-14H2,1-2H3/b22-15-/t16-,17-/m0/s1
InChIKeyKIYBTXQBDAWXDC-PBZAEIMMSA-N
MW384.55 g/mol
LogP4.24
Rot. Bonds4

About (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine

(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine (PubChem CID 9012646) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
PubChem CID9012646
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
SMILESC[C@H]1CCC[C@H](C)N1/N=C\c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C21H28N4OS/c1-16-7-6-8-17(2)25(16)22-15-19-20(18-9-4-3-5-10-18)23-21(27-19)24-11-13-26-14-12-24/h3-5,9-10,15-17H,6-8,11-14H2,1-2H3/b22-15-/t16-,17-/m0/s1
InChIKeyKIYBTXQBDAWXDC-PBZAEIMMSA-N
XLogP4.24
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027935
4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline
CID 3405666
(E)-3-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine
CID 6902132
4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
CID 6904054
2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765068
2-fluoro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 6904363
(3Z)-1-methyl-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]indol-2-one
CID 2108016
2,5-dimethyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
CID 6904472
(E)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
CID 43024419
2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765746
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 115562425
(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 8856182

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine?
The IUPAC name of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine (CID 9012646) is (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine.
What is the SMILES notation for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine?
The canonical SMILES for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine is C[C@H]1CCC[C@H](C)N1/N=C\c1sc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine?
The InChIKey is KIYBTXQBDAWXDC-PBZAEIMMSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-16-7-6-8-17(2)25(16)22-15-19-20(18-9-4-3-5-10-18)23-21(27-19)24-11-13-26-14-12-24/h3-5,9-10,15-17H,6-8,11-14H2,1-2H3/b22-15-/t16-,17-/m0/s1.
What are the key properties of (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine?
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine has a molecular weight of 384.55 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine is sourced from PubChem (CID 9012646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).