4-methoxypyridine-2-carbothioamide

C7H8N2OS — CID 62926631

IUPAC4-methoxypyridine-2-carbothioamide
SMILESCOc1ccnc(C(N)=S)c1
InChIInChI=1S/C7H8N2OS/c1-10-5-2-3-9-6(4-5)7(8)11/h2-4H,1H3,(H2,8,11)
InChIKeyOMWKEIFJHWFZOD-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.72
Rot. Bonds2

About 4-methoxypyridine-2-carbothioamide

4-methoxypyridine-2-carbothioamide (PubChem CID 62926631) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 4-methoxypyridine-2-carbothioamide.

Molecular Properties

Compound Name4-methoxypyridine-2-carbothioamide
PubChem CID62926631
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name4-methoxypyridine-2-carbothioamide
SMILESCOc1ccnc(C(N)=S)c1
InChIInChI=1S/C7H8N2OS/c1-10-5-2-3-9-6(4-5)7(8)11/h2-4H,1H3,(H2,8,11)
InChIKeyOMWKEIFJHWFZOD-UHFFFAOYSA-N
XLogP0.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Caerulomycin A
CID 135514797
6-Methoxy-3-pyridinylamine
CID 81121
4,4'-Dimethoxy-2,2'-bipyridyl
CID 2733927
Caeurolomycin A
CID 159917
Caerulomycin
CID 135478684
2-Methoxypyridin-4-amine
CID 280891
3-Fluoro-4-methoxy-2-pyridinemethanamine
CID 84070696
5-Methoxy-2-methylpyridine
CID 13358777
(4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine
CID 14645997
4-Methoxy-2-(methylsulfanylmethyl)pyridine
CID 56659406
(E)-N-methoxy-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanimine
CID 16128661
2-Pyridineacetamide, 4-methoxythio-
CID 3038162

Frequently Asked Questions

What is the IUPAC name of 4-methoxypyridine-2-carbothioamide?
The IUPAC name of 4-methoxypyridine-2-carbothioamide (CID 62926631) is 4-methoxypyridine-2-carbothioamide.
What is the SMILES notation for 4-methoxypyridine-2-carbothioamide?
The canonical SMILES for 4-methoxypyridine-2-carbothioamide is COc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-methoxypyridine-2-carbothioamide?
The InChIKey is OMWKEIFJHWFZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-10-5-2-3-9-6(4-5)7(8)11/h2-4H,1H3,(H2,8,11).
What are the key properties of 4-methoxypyridine-2-carbothioamide?
4-methoxypyridine-2-carbothioamide has a molecular weight of 168.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyridine-2-carbothioamide is sourced from PubChem (CID 62926631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).