3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile

C10H7N5O3S — CID 106382248

IUPAC3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2csc(=O)[nH]2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H7N5O3S/c11-3-7-8(15(17)18)1-2-9(14-7)12-4-6-5-19-10(16)13-6/h1-2,5H,4H2,(H,12,14)(H,13,16)
InChIKeyZWAKJCOEVWOEBE-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.22
Rot. Bonds4

About 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile

3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 106382248) has the molecular formula C10H7N5O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile
PubChem CID106382248
Molecular FormulaC10H7N5O3S
Molecular Weight277.27 g/mol
Exact Mass277.03
IUPAC Name3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2csc(=O)[nH]2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H7N5O3S/c11-3-7-8(15(17)18)1-2-9(14-7)12-4-6-5-19-10(16)13-6/h1-2,5H,4H2,(H,12,14)(H,13,16)
InChIKeyZWAKJCOEVWOEBE-UHFFFAOYSA-N
XLogP1.22
TPSA124.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-nitroanilino)methyl]-3H-1,3-thiazol-2-one
CID 103775093
6-[(4-aminophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103472658
6-[(3,4-difluorophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471499
4-[[(5-nitroisoquinolin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381959
6-[(2-amino-2-ethylbutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472571
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 114181486
4-[(4-bromo-2-nitroanilino)methyl]-3H-1,3-thiazol-2-one
CID 103775094
6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471532
6-[(5-bromo-2-fluorophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471399
4-[(3-ethoxy-4-nitroanilino)methyl]-3H-1,3-thiazol-2-one
CID 106381995
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile (CID 106382248) is 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile is N#Cc1nc(NCc2csc(=O)[nH]2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is ZWAKJCOEVWOEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3S/c11-3-7-8(15(17)18)1-2-9(14-7)12-4-6-5-19-10(16)13-6/h1-2,5H,4H2,(H,12,14)(H,13,16).
What are the key properties of 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile?
3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 277.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 106382248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).