N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide

C21H22N4O2S — CID 3674330

IUPACN-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(NN=Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H22N4O2S/c1-3-4-20(26)23-17-9-7-16(8-10-17)19-14-28-21(24-19)25-22-13-15-5-11-18(27-2)12-6-15/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVKPITMQFLACXTR-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.00
Rot. Bonds8

About N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide

N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide (PubChem CID 3674330) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide
PubChem CID3674330
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2csc(NN=Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C21H22N4O2S/c1-3-4-20(26)23-17-9-7-16(8-10-17)19-14-28-21(24-19)25-22-13-15-5-11-18(27-2)12-6-15/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVKPITMQFLACXTR-UHFFFAOYSA-N
XLogP5.00
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.00
H-Bond Donors ≤ 52
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

4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
N,N-diethyl-4-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 6276601
[4-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3867217
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 73384910
4-[(Z)-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135788950
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 168579493
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide (CID 3674330) is N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(-c2csc(NN=Cc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide?
The InChIKey is VKPITMQFLACXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-3-4-20(26)23-17-9-7-16(8-10-17)19-14-28-21(24-19)25-22-13-15-5-11-18(27-2)12-6-15/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide?
N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide has a molecular weight of 394.50 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide is sourced from PubChem (CID 3674330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).