5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide

C9H7IN4S — CID 115488790

IUPAC5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(-n2cc(I)cn2)cn1
InChIInChI=1S/C9H7IN4S/c10-6-3-13-14(5-6)7-1-2-8(9(11)15)12-4-7/h1-5H,(H2,11,15)
InChIKeyAKOAGSJXTHQNES-UHFFFAOYSA-N
MW330.15 g/mol
LogP1.51
Rot. Bonds2

About 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide

5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide (PubChem CID 115488790) has the molecular formula C9H7IN4S and a molecular weight of 330.15 g/mol. Its IUPAC name is 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide
PubChem CID115488790
Molecular FormulaC9H7IN4S
Molecular Weight330.15 g/mol
Exact Mass329.94
IUPAC Name5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(-n2cc(I)cn2)cn1
InChIInChI=1S/C9H7IN4S/c10-6-3-13-14(5-6)7-1-2-8(9(11)15)12-4-7/h1-5H,(H2,11,15)
InChIKeyAKOAGSJXTHQNES-UHFFFAOYSA-N
XLogP1.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromopyrazol-1-yl)pyridine-2-carbothioamide
CID 115488780
5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide
CID 115488791
5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide
CID 115488775
5-(4-iodopyrazol-1-yl)-2-nitropyridine
CID 130614747
5-aminopyridine-2-carbothioamide
CID 70701031
5-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-2-carboximidamide
CID 113321273
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carbothioamide
CID 115488785
5-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carbothioamide
CID 113320771
4-(4-bromopyrazol-1-yl)benzenecarbothioamide
CID 61034766
5-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488609
5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488135
6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide
CID 58336759

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide?
The IUPAC name of 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide (CID 115488790) is 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide?
The canonical SMILES for 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide is NC(=S)c1ccc(-n2cc(I)cn2)cn1.
What is the InChIKey of 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide?
The InChIKey is AKOAGSJXTHQNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN4S/c10-6-3-13-14(5-6)7-1-2-8(9(11)15)12-4-7/h1-5H,(H2,11,15).
What are the key properties of 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide?
5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide has a molecular weight of 330.15 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 115488790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).