2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide

C10H9N5O3S2 — CID 40547510

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
SMILESNc1nc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cs1
InChIInChI=1S/C10H9N5O3S2/c11-10-13-6(5-19-10)3-8(16)14-12-4-7-1-2-9(20-7)15(17)18/h1-2,4-5H,3H2,(H2,11,13)(H,14,16)/b12-4+
InChIKeyMHBSDJSGYBEKJT-UUILKARUSA-N
MW311.35 g/mol
LogP1.39
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide (PubChem CID 40547510) has the molecular formula C10H9N5O3S2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
PubChem CID40547510
Molecular FormulaC10H9N5O3S2
Molecular Weight311.35 g/mol
Exact Mass311.01
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
SMILESNc1nc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cs1
InChIInChI=1S/C10H9N5O3S2/c11-10-13-6(5-19-10)3-8(16)14-12-4-7-1-2-9(20-7)15(17)18/h1-2,4-5H,3H2,(H2,11,13)(H,14,16)/b12-4+
InChIKeyMHBSDJSGYBEKJT-UUILKARUSA-N
XLogP1.39
TPSA123.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-(3,4-dimethoxyphenyl)-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5390870
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 96890236
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 110337317
methyl 4-[(E)-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 110337942
2-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide
CID 6284233
2-(4-nitrophenoxy)-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 3369130
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6069223
N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 5334616
2-(4-iodophenoxy)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 16760968
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 1274510
2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 5187762
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 110337161

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide (CID 40547510) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is Nc1nc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide?
The InChIKey is MHBSDJSGYBEKJT-UUILKARUSA-N. The full InChI is InChI=1S/C10H9N5O3S2/c11-10-13-6(5-19-10)3-8(16)14-12-4-7-1-2-9(20-7)15(17)18/h1-2,4-5H,3H2,(H2,11,13)(H,14,16)/b12-4+.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide has a molecular weight of 311.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 40547510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).