N-(6-methoxy-3-pyridinyl)methanethioamide

C7H8N2OS — CID 142077348

IUPACN-(6-methoxy-3-pyridinyl)methanethioamide
SMILESCOc1ccc(NC=S)cn1
InChIInChI=1S/C7H8N2OS/c1-10-7-3-2-6(4-8-7)9-5-11/h2-5H,1H3,(H,9,11)
InChIKeyOXYLJHJBJOMHIQ-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.46
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)methanethioamide

N-(6-methoxy-3-pyridinyl)methanethioamide (PubChem CID 142077348) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)methanethioamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)methanethioamide
PubChem CID142077348
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC NameN-(6-methoxy-3-pyridinyl)methanethioamide
SMILESCOc1ccc(NC=S)cn1
InChIInChI=1S/C7H8N2OS/c1-10-7-3-2-6(4-8-7)9-5-11/h2-5H,1H3,(H,9,11)
InChIKeyOXYLJHJBJOMHIQ-UHFFFAOYSA-N
XLogP1.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.46
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

(6-methoxy-3-pyridinyl)hydrazine;hydrochloride
CID 23090203
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
5-[[(6-methoxy-3-pyridinyl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 4255799
6-methoxy-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 62326998
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
N-(6-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 140513842
6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207
6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 63655578
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine
CID 64800422
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
[[(6-methoxy-3-pyridinyl)amino]-phosphonomethyl]phosphonic acid
CID 11716344

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)methanethioamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)methanethioamide (CID 142077348) is N-(6-methoxy-3-pyridinyl)methanethioamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)methanethioamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)methanethioamide is COc1ccc(NC=S)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)methanethioamide?
The InChIKey is OXYLJHJBJOMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-10-7-3-2-6(4-8-7)9-5-11/h2-5H,1H3,(H,9,11).
What are the key properties of N-(6-methoxy-3-pyridinyl)methanethioamide?
N-(6-methoxy-3-pyridinyl)methanethioamide has a molecular weight of 168.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)methanethioamide is sourced from PubChem (CID 142077348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).