4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide

C18H20N4OS — CID 8811780

IUPAC4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide
SMILESCc1csc(/C(C#N)=C/NNC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H20N4OS/c1-12-11-24-17(21-12)14(9-19)10-20-22-16(23)13-5-7-15(8-6-13)18(2,3)4/h5-8,10-11,20H,1-4H3,(H,22,23)/b14-10+
InChIKeyNFZZNURZWLPZMU-GXDHUFHOSA-N
MW340.45 g/mol
LogP3.55
Rot. Bonds4

About 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide

4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide (PubChem CID 8811780) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide
PubChem CID8811780
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide
SMILESCc1csc(/C(C#N)=C/NNC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H20N4OS/c1-12-11-24-17(21-12)14(9-19)10-20-22-16(23)13-5-7-15(8-6-13)18(2,3)4/h5-8,10-11,20H,1-4H3,(H,22,23)/b14-10+
InChIKeyNFZZNURZWLPZMU-GXDHUFHOSA-N
XLogP3.55
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-hydroxybenzohydrazide
CID 8811401
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 8812427
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 8811592
(5S)-5-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 8812227
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-(dimethylamino)propanehydrazide
CID 8812404
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 8811876
(E)-3-[(6-methyl-2-pyridinyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811344
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-(3,4-dimethylphenoxy)acetohydrazide
CID 8811709
(E)-3-anilino-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 8811112
(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(pyridin-4-ylamino)prop-2-enenitrile
CID 8821609
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 8812406
2-(2-benzylphenoxy)-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]acetohydrazide
CID 8811671

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide (CID 8811780) is 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide is Cc1csc(/C(C#N)=C/NNC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide?
The InChIKey is NFZZNURZWLPZMU-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-11-24-17(21-12)14(9-19)10-20-22-16(23)13-5-7-15(8-6-13)18(2,3)4/h5-8,10-11,20H,1-4H3,(H,22,23)/b14-10+.
What are the key properties of 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide?
4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide has a molecular weight of 340.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]benzohydrazide is sourced from PubChem (CID 8811780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).