5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline

C11H7N5O2S — CID 106678294

IUPAC5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline
SMILESNc1cc([N+](=O)[O-])ccc1-c1nc2nccnc2s1
InChIInChI=1S/C11H7N5O2S/c12-8-5-6(16(17)18)1-2-7(8)10-15-9-11(19-10)14-4-3-13-9/h1-5H,12H2
InChIKeyVUDNILSJJQWOCE-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.24
Rot. Bonds2

About 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline

5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline (PubChem CID 106678294) has the molecular formula C11H7N5O2S and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline.

Molecular Properties

Compound Name5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline
PubChem CID106678294
Molecular FormulaC11H7N5O2S
Molecular Weight273.28 g/mol
Exact Mass273.03
IUPAC Name5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline
SMILESNc1cc([N+](=O)[O-])ccc1-c1nc2nccnc2s1
InChIInChI=1S/C11H7N5O2S/c12-8-5-6(16(17)18)1-2-7(8)10-15-9-11(19-10)14-4-3-13-9/h1-5H,12H2
InChIKeyVUDNILSJJQWOCE-UHFFFAOYSA-N
XLogP2.24
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

5-nitro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 65335840
2-(5-bromo-1,3-benzothiazol-2-yl)-5-nitroaniline
CID 63110987
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63111008
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4-nitroaniline
CID 79791262
2-naphthalen-1-yl-5-nitroaniline
CID 141327222
2-(2,4-dimethoxyphenyl)-5-nitro-1,3-benzothiazole
CID 23085740
bis((2-amino-4-nitrophenyl)azanium) dichloride
CID 139061859
5-nitro-2-(2H-tetrazol-5-yl)aniline
CID 170915363
ethane;6-nitroquinoxaline
CID 143926485
3-amino-5-(2-methoxy-4-nitrophenyl)thiophene-2-carboxylic acid
CID 104783573
2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110870
5-(2-methoxy-4-nitrophenyl)-1H-1,2,4-triazol-3-amine
CID 104783357

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline?
The IUPAC name of 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline (CID 106678294) is 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline.
What is the SMILES notation for 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline?
The canonical SMILES for 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline is Nc1cc([N+](=O)[O-])ccc1-c1nc2nccnc2s1.
What is the InChIKey of 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline?
The InChIKey is VUDNILSJJQWOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2S/c12-8-5-6(16(17)18)1-2-7(8)10-15-9-11(19-10)14-4-3-13-9/h1-5H,12H2.
What are the key properties of 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline?
5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline has a molecular weight of 273.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline is sourced from PubChem (CID 106678294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).