N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

C23H27N5O2S2 — CID 5230092

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(C=NNc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C23H27N5O2S2/c1-27(2)20-10-6-18(7-11-20)16-24-26-23-25-22(17-31-23)19-8-12-21(13-9-19)32(29,30)28-14-4-3-5-15-28/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,26)
InChIKeyKXUVZMPBFPPYRT-UHFFFAOYSA-N
MW469.64 g/mol
LogP4.50
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 5230092) has the molecular formula C23H27N5O2S2 and a molecular weight of 469.64 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID5230092
Molecular FormulaC23H27N5O2S2
Molecular Weight469.64 g/mol
Exact Mass469.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(C=NNc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C23H27N5O2S2/c1-27(2)20-10-6-18(7-11-20)16-24-26-23-25-22(17-31-23)19-8-12-21(13-9-19)32(29,30)28-14-4-3-5-15-28/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,26)
InChIKeyKXUVZMPBFPPYRT-UHFFFAOYSA-N
XLogP4.50
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.64
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276598
N-[(4-propan-2-ylphenyl)methylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230376
4-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 5230382
2-methoxy-4-[(E)-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135585610
2-ethoxy-4-[[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 5231062
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276688
4-[3-(azepan-1-ylsulfonyl)phenyl]-N-[(4-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4701555
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine
CID 4659241
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136073

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (CID 5230092) is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is CN(C)c1ccc(C=NNc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KXUVZMPBFPPYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S2/c1-27(2)20-10-6-18(7-11-20)16-24-26-23-25-22(17-31-23)19-8-12-21(13-9-19)32(29,30)28-14-4-3-5-15-28/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 469.64 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 5230092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).