N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide

C25H23N5OS — CID 6229470

IUPACN-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCN(C)c1ccc(/C=N\Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C25H23N5OS/c1-30(2)22-14-8-18(9-15-22)16-26-29-25-28-23(17-32-25)19-10-12-21(13-11-19)27-24(31)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,27,31)(H,28,29)/b26-16-
InChIKeyCKFUKTAKBTZJTA-QQXSKIMKSA-N
MW441.56 g/mol
LogP5.57
Rot. Bonds7

About N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide

N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 6229470) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID6229470
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC NameN-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCN(C)c1ccc(/C=N\Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C25H23N5OS/c1-30(2)22-14-8-18(9-15-22)16-26-29-25-28-23(17-32-25)19-10-12-21(13-11-19)27-24(31)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,27,31)(H,28,29)/b26-16-
InChIKeyCKFUKTAKBTZJTA-QQXSKIMKSA-N
XLogP5.57
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136073
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
2-[N-(2-acetyloxyethyl)-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
CID 168578092
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22191969

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide (CID 6229470) is N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide is CN(C)c1ccc(/C=N\Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is CKFUKTAKBTZJTA-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-30(2)22-14-8-18(9-15-22)16-26-29-25-28-23(17-32-25)19-10-12-21(13-11-19)27-24(31)20-6-4-3-5-7-20/h3-17H,1-2H3,(H,27,31)(H,28,29)/b26-16-.
What are the key properties of N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide?
N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 441.56 g/mol, XLogP of 5.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 6229470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).