5-methylpyridine-3-carbothioamide

C7H8N2S — CID 82667995

IUPAC5-methylpyridine-3-carbothioamide
SMILESCc1cncc(C(N)=S)c1
InChIInChI=1S/C7H8N2S/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3,(H2,8,10)
InChIKeyGNFAWEOZOWQXRW-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.02
Rot. Bonds1

About 5-methylpyridine-3-carbothioamide

5-methylpyridine-3-carbothioamide (PubChem CID 82667995) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 5-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name5-methylpyridine-3-carbothioamide
PubChem CID82667995
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name5-methylpyridine-3-carbothioamide
SMILESCc1cncc(C(N)=S)c1
InChIInChI=1S/C7H8N2S/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3,(H2,8,10)
InChIKeyGNFAWEOZOWQXRW-UHFFFAOYSA-N
XLogP1.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methylpyridine-3-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-amino-5-methylpyridine-3-carboximidamide
CID 77072547
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
N-(5-bromo-2-carbamothioylphenyl)-5-methylpyridine-3-carboxamide
CID 107798866
CID 174996178
CID 174996178
1-[(5-methyl-3-pyridinyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 102878770
2-[(5-methyl-3-pyridinyl)methyl]guanidine
CID 130772692
(1-aminocyclopentyl)-(5-methyl-3-pyridinyl)methanone
CID 116558812
3-[(5-methyl-3-pyridinyl)amino]pyrazine-2-carbothioamide
CID 107585622
1-amino-2-(5-methyl-3-pyridinyl)guanidine
CID 107587191
ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844
4-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116571374
3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
CID 116614669

Frequently Asked Questions

What is the IUPAC name of 5-methylpyridine-3-carbothioamide?
The IUPAC name of 5-methylpyridine-3-carbothioamide (CID 82667995) is 5-methylpyridine-3-carbothioamide.
What is the SMILES notation for 5-methylpyridine-3-carbothioamide?
The canonical SMILES for 5-methylpyridine-3-carbothioamide is Cc1cncc(C(N)=S)c1.
What is the InChIKey of 5-methylpyridine-3-carbothioamide?
The InChIKey is GNFAWEOZOWQXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3,(H2,8,10).
What are the key properties of 5-methylpyridine-3-carbothioamide?
5-methylpyridine-3-carbothioamide has a molecular weight of 152.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyridine-3-carbothioamide is sourced from PubChem (CID 82667995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).