4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide

C16H19N3OS — CID 9466150

IUPAC4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
SMILESCc1nc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-14(10-21-11)9-17-19-15(20)12-5-7-13(8-6-12)16(2,3)4/h5-10H,1-4H3,(H,19,20)/b17-9-
InChIKeyITVJOHQYDBFCCZ-MFOYZWKCSA-N
MW301.42 g/mol
LogP3.51
Rot. Bonds3

About 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide

4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide (PubChem CID 9466150) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
PubChem CID9466150
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
SMILESCc1nc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-18-14(10-21-11)9-17-19-15(20)12-5-7-13(8-6-12)16(2,3)4/h5-10H,1-4H3,(H,19,20)/b17-9-
InChIKeyITVJOHQYDBFCCZ-MFOYZWKCSA-N
XLogP3.51
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.51
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

2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
CID 9016496
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175195
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methylideneamino]benzamide
CID 3529233
N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9072974
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175216
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-fluorobenzamide
CID 9016676
N-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-chlorobenzamide
CID 9060219
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
CID 76872323
4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
CID 4980428
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide (CID 9466150) is 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide is Cc1nc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide?
The InChIKey is ITVJOHQYDBFCCZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-18-14(10-21-11)9-17-19-15(20)12-5-7-13(8-6-12)16(2,3)4/h5-10H,1-4H3,(H,19,20)/b17-9-.
What are the key properties of 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide?
4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide has a molecular weight of 301.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 9466150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).