N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

C14H10N4O2S — CID 2960781

IUPACN-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H10N4O2S/c19-18(20)13-6-2-1-5-11(13)16-14-17-12(9-21-14)10-4-3-7-15-8-10/h1-9H,(H,16,17)
InChIKeyJLESNICZRSLJKW-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.86
Rot. Bonds4

About N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 2960781) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID2960781
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC NameN-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccccc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H10N4O2S/c19-18(20)13-6-2-1-5-11(13)16-14-17-12(9-21-14)10-4-3-7-15-8-10/h1-9H,(H,16,17)
InChIKeyJLESNICZRSLJKW-UHFFFAOYSA-N
XLogP3.86
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 2960781) is N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is O=[N+]([O-])c1ccccc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is JLESNICZRSLJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c19-18(20)13-6-2-1-5-11(13)16-14-17-12(9-21-14)10-4-3-7-15-8-10/h1-9H,(H,16,17).
What are the key properties of N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 298.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2960781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).