N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine

C23H25ClN4O2S2 — CID 4701488

IUPACN-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4cccc(Cl)c4)n3)c2)C1
InChIInChI=1S/C23H25ClN4O2S2/c1-16-9-17(2)14-28(13-16)32(29,30)21-8-4-6-19(11-21)22-15-31-23(26-22)27-25-12-18-5-3-7-20(24)10-18/h3-8,10-12,15-17H,9,13-14H2,1-2H3,(H,26,27)
InChIKeyWCFRESYUSRTZOW-UHFFFAOYSA-N
MW489.07 g/mol
LogP5.58
Rot. Bonds6

About N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine

N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine (PubChem CID 4701488) has the molecular formula C23H25ClN4O2S2 and a molecular weight of 489.07 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
PubChem CID4701488
Molecular FormulaC23H25ClN4O2S2
Molecular Weight489.07 g/mol
Exact Mass488.11
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4cccc(Cl)c4)n3)c2)C1
InChIInChI=1S/C23H25ClN4O2S2/c1-16-9-17(2)14-28(13-16)32(29,30)21-8-4-6-19(11-21)22-15-31-23(26-22)27-25-12-18-5-3-7-20(24)10-18/h3-8,10-12,15-17H,9,13-14H2,1-2H3,(H,26,27)
InChIKeyWCFRESYUSRTZOW-UHFFFAOYSA-N
XLogP5.58
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.07
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(3-chlorophenyl)methylideneamino]-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701481
4-[(E)-[[4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135607803
4-[[[4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 4701593
N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
CID 4701479
4-[3-(azepan-1-ylsulfonyl)phenyl]-N-[(4-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4701555
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
4-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-N-[(Z)-(3-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6048757
3-[[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1402433
4-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-phenyl-1,3-thiazole
CID 7735634
N-[(4-methylphenyl)methylideneamino]-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 4701516
2-ethoxy-4-[[[4-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 4701491

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine (CID 4701488) is N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine is CC1CC(C)CN(S(=O)(=O)c2cccc(-c3csc(NN=Cc4cccc(Cl)c4)n3)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine?
The InChIKey is WCFRESYUSRTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2S2/c1-16-9-17(2)14-28(13-16)32(29,30)21-8-4-6-19(11-21)22-15-31-23(26-22)27-25-12-18-5-3-7-20(24)10-18/h3-8,10-12,15-17H,9,13-14H2,1-2H3,(H,26,27).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine?
N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine has a molecular weight of 489.07 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-4-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4701488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).