N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine

C11H10N4O2S — CID 126105865

IUPACN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
SMILESCc1ccsc1/C=N\Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2S/c1-8-4-6-18-10(8)7-13-14-11-9(15(16)17)3-2-5-12-11/h2-7H,1H3,(H,12,14)/b13-7-
InChIKeyTYNMXNFILLHKCQ-QPEQYQDCSA-N
MW262.29 g/mol
LogP2.81
Rot. Bonds4

About N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine (PubChem CID 126105865) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
PubChem CID126105865
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine
SMILESCc1ccsc1/C=N\Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2S/c1-8-4-6-18-10(8)7-13-14-11-9(15(16)17)3-2-5-12-11/h2-7H,1H3,(H,12,14)/b13-7-
InChIKeyTYNMXNFILLHKCQ-QPEQYQDCSA-N
XLogP2.81
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
3-nitro-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50853900
4-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6043053
4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4230490
2-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126101162
N-[(Z)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126072265
3-nitro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
CID 2740940

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine (CID 126105865) is N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine is Cc1ccsc1/C=N\Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is TYNMXNFILLHKCQ-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-8-4-6-18-10(8)7-13-14-11-9(15(16)17)3-2-5-12-11/h2-7H,1H3,(H,12,14)/b13-7-.
What are the key properties of N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 262.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 126105865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).