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

C22H24N4O3S2 — CID 6276598

IUPACN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C22H24N4O3S2/c1-29-19-9-5-17(6-10-19)15-23-25-22-24-21(16-30-22)18-7-11-20(12-8-18)31(27,28)26-13-3-2-4-14-26/h5-12,15-16H,2-4,13-14H2,1H3,(H,24,25)/b23-15-
InChIKeyGMPGAYNHAVRCFB-HAHDFKILSA-N
MW456.59 g/mol
LogP4.44
Rot. Bonds7

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

N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 6276598) has the molecular formula C22H24N4O3S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID6276598
Molecular FormulaC22H24N4O3S2
Molecular Weight456.59 g/mol
Exact Mass456.13
IUPAC NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N\Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C22H24N4O3S2/c1-29-19-9-5-17(6-10-19)15-23-25-22-24-21(16-30-22)18-7-11-20(12-8-18)31(27,28)26-13-3-2-4-14-26/h5-12,15-16H,2-4,13-14H2,1H3,(H,24,25)/b23-15-
InChIKeyGMPGAYNHAVRCFB-HAHDFKILSA-N
XLogP4.44
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230092
2-methoxy-4-[(E)-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135585610
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-ethoxy-4-[[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 5231062
N,N-diethyl-4-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 6276601
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
4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine
CID 4659241
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6854959
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (CID 6276598) is N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is COc1ccc(/C=N\Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)cc1.
What is the InChIKey of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is GMPGAYNHAVRCFB-HAHDFKILSA-N. The full InChI is InChI=1S/C22H24N4O3S2/c1-29-19-9-5-17(6-10-19)15-23-25-22-24-21(16-30-22)18-7-11-20(12-8-18)31(27,28)26-13-3-2-4-14-26/h5-12,15-16H,2-4,13-14H2,1H3,(H,24,25)/b23-15-.
What are the key properties of N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 456.59 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 6276598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).