N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine

C24H28N4O5S2 — CID 27571794

IUPACN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cs2)c(OC)c1
InChIInChI=1S/C24H28N4O5S2/c1-16-13-28(14-17(2)33-16)35(29,30)21-7-5-6-18(10-21)22-15-34-24(26-22)27-25-12-19-8-9-20(31-3)11-23(19)32-4/h5-12,15-17H,13-14H2,1-4H3,(H,26,27)/b25-12-/t16-,17-/m1/s1
InChIKeyFZPABYGFSJFUKV-DTBYOGDJSA-N
MW516.65 g/mol
LogP4.07
Rot. Bonds8

About N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine

N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine (PubChem CID 27571794) has the molecular formula C24H28N4O5S2 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine
PubChem CID27571794
Molecular FormulaC24H28N4O5S2
Molecular Weight516.65 g/mol
Exact Mass516.15
IUPAC NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cs2)c(OC)c1
InChIInChI=1S/C24H28N4O5S2/c1-16-13-28(14-17(2)33-16)35(29,30)21-7-5-6-18(10-21)22-15-34-24(26-22)27-25-12-19-8-9-20(31-3)11-23(19)32-4/h5-12,15-17H,13-14H2,1-4H3,(H,26,27)/b25-12-/t16-,17-/m1/s1
InChIKeyFZPABYGFSJFUKV-DTBYOGDJSA-N
XLogP4.07
TPSA102.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6854959
N-[(2-chlorophenyl)methylideneamino]-4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-1,3-thiazol-2-amine
CID 4701476
ethyl 1-[3-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]sulfonylpiperidine-4-carboxylate
CID 6222542
3-[2-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701568
4-[(E)-[[4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135607803
4-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
CID 4701479
2-methoxy-4-[(Z)-[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135650246
N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
CID 4701488
4-[[[4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 4701593
N-[(4-methylphenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701516
3-[[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1402433

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine (CID 27571794) is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine is COc1ccc(/C=N\Nc2nc(-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cs2)c(OC)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine?
The InChIKey is FZPABYGFSJFUKV-DTBYOGDJSA-N. The full InChI is InChI=1S/C24H28N4O5S2/c1-16-13-28(14-17(2)33-16)35(29,30)21-7-5-6-18(10-21)22-15-34-24(26-22)27-25-12-19-8-9-20(31-3)11-23(19)32-4/h5-12,15-17H,13-14H2,1-4H3,(H,26,27)/b25-12-/t16-,17-/m1/s1.
What are the key properties of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine?
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine has a molecular weight of 516.65 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 27571794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).