N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide

C11H11N5O3S — CID 6208748

IUPACN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCc1ccsc1/C=N\NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O3S/c1-8-2-3-20-10(8)5-12-14-11(17)7-15-6-9(4-13-15)16(18)19/h2-6H,7H2,1H3,(H,14,17)/b12-5-
InChIKeyYAQAVERTPJVYQF-XGICHPGQSA-N
MW293.31 g/mol
LogP1.31
Rot. Bonds5

About N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide

N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 6208748) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID6208748
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC NameN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCc1ccsc1/C=N\NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O3S/c1-8-2-3-20-10(8)5-12-14-11(17)7-15-6-9(4-13-15)16(18)19/h2-6H,7H2,1H3,(H,14,17)/b12-5-
InChIKeyYAQAVERTPJVYQF-XGICHPGQSA-N
XLogP1.31
TPSA102.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 135688321
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 943228
N-[(2-chlorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 3572062
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 19660269
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
5-(diethylazaniumyl)-2-[[[2-(4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]phenolate
CID 1424223
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 5098169
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide (CID 6208748) is N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide is Cc1ccsc1/C=N\NC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is YAQAVERTPJVYQF-XGICHPGQSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-8-2-3-20-10(8)5-12-14-11(17)7-15-6-9(4-13-15)16(18)19/h2-6H,7H2,1H3,(H,14,17)/b12-5-.
What are the key properties of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 293.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 6208748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).