N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H21N3O2S — CID 9463632

IUPACN-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(CC/C(C)=N\NC(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12(4-5-14-6-8-16(22-3)9-7-14)19-20-17(21)10-15-11-23-13(2)18-15/h6-9,11H,4-5,10H2,1-3H3,(H,20,21)/b19-12-
InChIKeyONPVBIIICNEUFN-UNOMPAQXSA-N
MW331.44 g/mol
LogP3.13
Rot. Bonds7

About N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9463632) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9463632
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(CC/C(C)=N\NC(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12(4-5-14-6-8-16(22-3)9-7-14)19-20-17(21)10-15-11-23-13(2)18-15/h6-9,11H,4-5,10H2,1-3H3,(H,20,21)/b19-12-
InChIKeyONPVBIIICNEUFN-UNOMPAQXSA-N
XLogP3.13
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135716717
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135582457
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4843582
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate
CID 9463684
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9463632) is N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COc1ccc(CC/C(C)=N\NC(=O)Cc2csc(C)n2)cc1.
What is the InChIKey of N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ONPVBIIICNEUFN-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(4-5-14-6-8-16(22-3)9-7-14)19-20-17(21)10-15-11-23-13(2)18-15/h6-9,11H,4-5,10H2,1-3H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9463632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).