(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate

C10H15N3OS — CID 65211555

IUPAC(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate
SMILES[H]/N=C(\N)SCc1ncc(C)c(OC)c1C
InChIInChI=1S/C10H15N3OS/c1-6-4-13-8(5-15-10(11)12)7(2)9(6)14-3/h4H,5H2,1-3H3,(H3,11,12)
InChIKeyYBSNNOSXMAXYDJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.83
Rot. Bonds3

About (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate

(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate (PubChem CID 65211555) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate
PubChem CID65211555
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate
SMILES[H]/N=C(\N)SCc1ncc(C)c(OC)c1C
InChIInChI=1S/C10H15N3OS/c1-6-4-13-8(5-15-10(11)12)7(2)9(6)14-3/h4H,5H2,1-3H3,(H3,11,12)
InChIKeyYBSNNOSXMAXYDJ-UHFFFAOYSA-N
XLogP1.83
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate?
The IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate (CID 65211555) is (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate.
What is the SMILES notation for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate?
The canonical SMILES for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate is [H]/N=C(\N)SCc1ncc(C)c(OC)c1C.
What is the InChIKey of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate?
The InChIKey is YBSNNOSXMAXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6-4-13-8(5-15-10(11)12)7(2)9(6)14-3/h4H,5H2,1-3H3,(H3,11,12).
What are the key properties of (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate?
(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate has a molecular weight of 225.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethyl-2-pyridinyl)methyl carbamimidothioate is sourced from PubChem (CID 65211555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).