1-nitroso-1,3-dipyridin-2-ylthiourea

C11H9N5OS — CID 141465351

IUPAC1-nitroso-1,3-dipyridin-2-ylthiourea
SMILESO=NN(C(=S)Nc1ccccn1)c1ccccn1
InChIInChI=1S/C11H9N5OS/c17-15-16(10-6-2-4-8-13-10)11(18)14-9-5-1-3-7-12-9/h1-8H,(H,12,14,18)
InChIKeyVGUOWMKPTFFTHH-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.36
Rot. Bonds3

About 1-nitroso-1,3-dipyridin-2-ylthiourea

1-nitroso-1,3-dipyridin-2-ylthiourea (PubChem CID 141465351) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-nitroso-1,3-dipyridin-2-ylthiourea.

Molecular Properties

Compound Name1-nitroso-1,3-dipyridin-2-ylthiourea
PubChem CID141465351
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name1-nitroso-1,3-dipyridin-2-ylthiourea
SMILESO=NN(C(=S)Nc1ccccn1)c1ccccn1
InChIInChI=1S/C11H9N5OS/c17-15-16(10-6-2-4-8-13-10)11(18)14-9-5-1-3-7-12-9/h1-8H,(H,12,14,18)
InChIKeyVGUOWMKPTFFTHH-UHFFFAOYSA-N
XLogP2.36
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

pyridin-2-ylthiourea
CID 1490491
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1,1,2-tripyridin-2-ylhydrazine
CID 14693858
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3,3,3-trifluoro-N-pyridin-2-yl-2,2-bis(trifluoromethyl)propanamide
CID 71672608
pyridine;N-pyridin-2-ylacetamide
CID 67298573
1-[bis(diphenylphosphanylmethyl)amino]-3-pyridin-2-ylthiourea
CID 170899897
methyl 2-[nitroso(pyridin-2-yl)amino]acetate
CID 100988337
1-[(Z)-benzylideneamino]-3-pyridin-2-ylthiourea
CID 5367275
N-(2-nitrosophenyl)pyridin-2-amine
CID 22903582
1-carbamoyl-3-pyridin-2-ylurea
CID 564989
2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
CID 920575

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-1,3-dipyridin-2-ylthiourea?
The IUPAC name of 1-nitroso-1,3-dipyridin-2-ylthiourea (CID 141465351) is 1-nitroso-1,3-dipyridin-2-ylthiourea.
What is the SMILES notation for 1-nitroso-1,3-dipyridin-2-ylthiourea?
The canonical SMILES for 1-nitroso-1,3-dipyridin-2-ylthiourea is O=NN(C(=S)Nc1ccccn1)c1ccccn1.
What is the InChIKey of 1-nitroso-1,3-dipyridin-2-ylthiourea?
The InChIKey is VGUOWMKPTFFTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c17-15-16(10-6-2-4-8-13-10)11(18)14-9-5-1-3-7-12-9/h1-8H,(H,12,14,18).
What are the key properties of 1-nitroso-1,3-dipyridin-2-ylthiourea?
1-nitroso-1,3-dipyridin-2-ylthiourea has a molecular weight of 259.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-1,3-dipyridin-2-ylthiourea is sourced from PubChem (CID 141465351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).