N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide

C18H24N4O2S — CID 9394261

IUPACN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide
SMILESC/C(=N/NC(=O)c1ccc(OCCC(C)C)cc1)c1c(C)nsc1N
InChIInChI=1S/C18H24N4O2S/c1-11(2)9-10-24-15-7-5-14(6-8-15)18(23)21-20-12(3)16-13(4)22-25-17(16)19/h5-8,11H,9-10,19H2,1-4H3,(H,21,23)/b20-12-
InChIKeyBJPJTPZNXKKMDM-NDENLUEZSA-N
MW360.48 g/mol
LogP3.61
Rot. Bonds7

About N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide

N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide (PubChem CID 9394261) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide
PubChem CID9394261
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide
SMILESC/C(=N/NC(=O)c1ccc(OCCC(C)C)cc1)c1c(C)nsc1N
InChIInChI=1S/C18H24N4O2S/c1-11(2)9-10-24-15-7-5-14(6-8-15)18(23)21-20-12(3)16-13(4)22-25-17(16)19/h5-8,11H,9-10,19H2,1-4H3,(H,21,23)/b20-12-
InChIKeyBJPJTPZNXKKMDM-NDENLUEZSA-N
XLogP3.61
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.61
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

N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide
CID 9392764
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-ethylbenzamide
CID 9395248
N-[1-(3-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927568
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
(2S)-N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-2-(2,3-dimethylphenoxy)propanamide
CID 9395546
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4927369
ethyl N-[4-[(E)-N-benzamido-C-methylcarbonimidoyl]-3-methyl-1,2-thiazol-5-yl]carbamate
CID 135618374
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide (CID 9394261) is N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide is C/C(=N/NC(=O)c1ccc(OCCC(C)C)cc1)c1c(C)nsc1N.
What is the InChIKey of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
The InChIKey is BJPJTPZNXKKMDM-NDENLUEZSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-11(2)9-10-24-15-7-5-14(6-8-15)18(23)21-20-12(3)16-13(4)22-25-17(16)19/h5-8,11H,9-10,19H2,1-4H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide?
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 9394261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).