2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole

C14H9N3O2S2 — CID 31246665

IUPAC2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cs2)nc1
InChIInChI=1S/C14H9N3O2S2/c18-17(19)11-6-7-13(15-8-11)21-14-16-12(9-20-14)10-4-2-1-3-5-10/h1-9H
InChIKeyRRARYAUVPDMFFE-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.26
Rot. Bonds4

About 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole

2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole (PubChem CID 31246665) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole
PubChem CID31246665
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC Name2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cs2)nc1
InChIInChI=1S/C14H9N3O2S2/c18-17(19)11-6-7-13(15-8-11)21-14-16-12(9-20-14)10-4-2-1-3-5-10/h1-9H
InChIKeyRRARYAUVPDMFFE-UHFFFAOYSA-N
XLogP4.26
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
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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Related Compounds

2-(2-bromo-5-nitrophenyl)-4-phenyl-1,3-thiazole
CID 169336469
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
N-(2-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 2959231
2-(4-methylphenyl)sulfanyl-5-nitropyridine
CID 2800116
2-benzylsulfanyl-5-nitropyridine;6-benzylsulfanylpyridin-3-amine
CID 167555287
2-(3-iodophenyl)-4-(4-nitrophenyl)-1,3-thiazole
CID 86025063
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412
2-[(5-nitro-2-pyridinyl)sulfanyl]ethanol
CID 43385380
2-[(5-nitro-2-pyridinyl)sulfanyl]thieno[2,3-d]pyrimidin-4-amine
CID 24605969
7-nitro-3-phenylisoquinoline
CID 102237044
4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
2,4-bis(3-nitrophenyl)-1,3-thiazole
CID 45142332

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole (CID 31246665) is 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole is O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cs2)nc1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole?
The InChIKey is RRARYAUVPDMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-17(19)11-6-7-13(15-8-11)21-14-16-12(9-20-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole?
2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole has a molecular weight of 315.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)sulfanyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 31246665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).