2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

C11H10N4O3S2 — CID 6500990

IUPAC2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1nccs1
InChIInChI=1S/C11H10N4O3S2/c1-7(10(16)14-11-12-4-5-19-11)20-9-3-2-8(6-13-9)15(17)18/h2-7H,1H3,(H,12,14,16)
InChIKeyYOOJVNQYTXCBDT-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.57
Rot. Bonds5

About 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 6500990) has the molecular formula C11H10N4O3S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID6500990
Molecular FormulaC11H10N4O3S2
Molecular Weight310.36 g/mol
Exact Mass310.02
IUPAC Name2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1nccs1
InChIInChI=1S/C11H10N4O3S2/c1-7(10(16)14-11-12-4-5-19-11)20-9-3-2-8(6-13-9)15(17)18/h2-7H,1H3,(H,12,14,16)
InChIKeyYOOJVNQYTXCBDT-UHFFFAOYSA-N
XLogP2.57
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (CID 6500990) is 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is CC(Sc1ccc([N+](=O)[O-])cn1)C(=O)Nc1nccs1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is YOOJVNQYTXCBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S2/c1-7(10(16)14-11-12-4-5-19-11)20-9-3-2-8(6-13-9)15(17)18/h2-7H,1H3,(H,12,14,16).
What are the key properties of 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 6500990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).