N-pyridin-3-ylmethanethioamide

C6H6N2S — CID 22299133

IUPACN-pyridin-3-ylmethanethioamide
SMILESS=CNc1cccnc1
InChIInChI=1S/C6H6N2S/c9-5-8-6-2-1-3-7-4-6/h1-5H,(H,8,9)
InChIKeyXDVPDSILIJMLRD-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.45
Rot. Bonds2

About N-pyridin-3-ylmethanethioamide

N-pyridin-3-ylmethanethioamide (PubChem CID 22299133) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is N-pyridin-3-ylmethanethioamide.

Molecular Properties

Compound NameN-pyridin-3-ylmethanethioamide
PubChem CID22299133
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC NameN-pyridin-3-ylmethanethioamide
SMILESS=CNc1cccnc1
InChIInChI=1S/C6H6N2S/c9-5-8-6-2-1-3-7-4-6/h1-5H,(H,8,9)
InChIKeyXDVPDSILIJMLRD-UHFFFAOYSA-N
XLogP1.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(pyridin-3-ylamino)mercury(1+)
CID 16685218
N-fluoropyridin-3-amine
CID 141274626
N-bromopyridin-3-amine
CID 87128938
pyridin-3-ylcyanamide
CID 12652072
azane;N-methylpyridin-3-amine
CID 70247108
ethane;N-methylpyridin-3-amine
CID 91430147
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
pyridin-3-ylthiourea
CID 2760515
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
1-bromo-2-pyridin-3-ylhydrazine
CID 142776017
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylmethanethioamide?
The IUPAC name of N-pyridin-3-ylmethanethioamide (CID 22299133) is N-pyridin-3-ylmethanethioamide.
What is the SMILES notation for N-pyridin-3-ylmethanethioamide?
The canonical SMILES for N-pyridin-3-ylmethanethioamide is S=CNc1cccnc1.
What is the InChIKey of N-pyridin-3-ylmethanethioamide?
The InChIKey is XDVPDSILIJMLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c9-5-8-6-2-1-3-7-4-6/h1-5H,(H,8,9).
What are the key properties of N-pyridin-3-ylmethanethioamide?
N-pyridin-3-ylmethanethioamide has a molecular weight of 138.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylmethanethioamide is sourced from PubChem (CID 22299133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).