N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H19N3OS — CID 9463729

IUPACN-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H19N3OS/c1-4-15(13-7-5-11(2)6-8-13)18-19-16(20)9-14-10-21-12(3)17-14/h5-8,10H,4,9H2,1-3H3,(H,19,20)/b18-15-
InChIKeyKXJQYZWCDDJSIV-SDXDJHTJSA-N
MW301.42 g/mol
LogP3.23
Rot. Bonds5

About N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9463729) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9463729
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H19N3OS/c1-4-15(13-7-5-11(2)6-8-13)18-19-16(20)9-14-10-21-12(3)17-14/h5-8,10H,4,9H2,1-3H3,(H,19,20)/b18-15-
InChIKeyKXJQYZWCDDJSIV-SDXDJHTJSA-N
XLogP3.23
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464064
N-[(Z)-1-(4-fluorophenyl)pentylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464108
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4153333
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 8882089
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9463968
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-(2-methyl-1-phenylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78813908

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9463729) is N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CC/C(=N/NC(=O)Cc1csc(C)n1)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KXJQYZWCDDJSIV-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-15(13-7-5-11(2)6-8-13)18-19-16(20)9-14-10-21-12(3)17-14/h5-8,10H,4,9H2,1-3H3,(H,19,20)/b18-15-.
What are the key properties of N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 301.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9463729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).