4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine

C22H24N6S — CID 135921319

IUPAC4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C/c2ccc(N3CCCCC3)cc2)sc1/N=N/c1ccccc1
InChIInChI=1S/C22H24N6S/c1-17-21(26-25-19-8-4-2-5-9-19)29-22(24-17)27-23-16-18-10-12-20(13-11-18)28-14-6-3-7-15-28/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,27)/b23-16+,26-25+
InChIKeyPSKTZJCDJINFRY-XZKXACHFSA-N
MW404.54 g/mol
LogP6.30
Rot. Bonds6

About 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine

4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 135921319) has the molecular formula C22H24N6S and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID135921319
Molecular FormulaC22H24N6S
Molecular Weight404.54 g/mol
Exact Mass404.18
IUPAC Name4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C/c2ccc(N3CCCCC3)cc2)sc1/N=N/c1ccccc1
InChIInChI=1S/C22H24N6S/c1-17-21(26-25-19-8-4-2-5-9-19)29-22(24-17)27-23-16-18-10-12-20(13-11-18)28-14-6-3-7-15-28/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,27)/b23-16+,26-25+
InChIKeyPSKTZJCDJINFRY-XZKXACHFSA-N
XLogP6.30
TPSA65.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

(E)-2-(4-methyl-5-phenyldiazenyl-1,3-thiazol-2-yl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 25266506
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
CID 19011238
2-chloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]aniline
CID 7955344
N-[[4-(4-methylpiperazin-1-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577947
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
ethyl N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]carbamate
CID 6910070
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine
CID 139237894
4-phenyl-N-[(4-piperazin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168577812
(3R)-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7965511
1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
CID 169383937
2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8878410
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 135921319) is 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine is Cc1nc(N/N=C/c2ccc(N3CCCCC3)cc2)sc1/N=N/c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is PSKTZJCDJINFRY-XZKXACHFSA-N. The full InChI is InChI=1S/C22H24N6S/c1-17-21(26-25-19-8-4-2-5-9-19)29-22(24-17)27-23-16-18-10-12-20(13-11-18)28-14-6-3-7-15-28/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,27)/b23-16+,26-25+.
What are the key properties of 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 404.54 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyldiazenyl-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 135921319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).