5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole

C10H7N3O2S — CID 6479539

IUPAC5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole
SMILESO=[N+]([O-])c1cnc(/C=C/c2ccncc2)s1
InChIInChI=1S/C10H7N3O2S/c14-13(15)10-7-12-9(16-10)2-1-8-3-5-11-6-4-8/h1-7H/b2-1+
InChIKeyRVUYZWOLQZQKTL-OWOJBTEDSA-N
MW233.25 g/mol
LogP2.62
Rot. Bonds3

About 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole

5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole (PubChem CID 6479539) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole
PubChem CID6479539
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole
SMILESO=[N+]([O-])c1cnc(/C=C/c2ccncc2)s1
InChIInChI=1S/C10H7N3O2S/c14-13(15)10-7-12-9(16-10)2-1-8-3-5-11-6-4-8/h1-7H/b2-1+
InChIKeyRVUYZWOLQZQKTL-OWOJBTEDSA-N
XLogP2.62
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole?
The IUPAC name of 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole (CID 6479539) is 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole.
What is the SMILES notation for 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole?
The canonical SMILES for 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole is O=[N+]([O-])c1cnc(/C=C/c2ccncc2)s1.
What is the InChIKey of 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole?
The InChIKey is RVUYZWOLQZQKTL-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H7N3O2S/c14-13(15)10-7-12-9(16-10)2-1-8-3-5-11-6-4-8/h1-7H/b2-1+.
What are the key properties of 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole?
5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole has a molecular weight of 233.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(E)-2-pyridin-4-ylethenyl]-1,3-thiazole is sourced from PubChem (CID 6479539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).