5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide

C10H10N4S — CID 115488775

IUPAC5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide
SMILESCc1nccn1-c1ccc(C(N)=S)nc1
InChIInChI=1S/C10H10N4S/c1-7-12-4-5-14(7)8-2-3-9(10(11)15)13-6-8/h2-6H,1H3,(H2,11,15)
InChIKeyNMJROBPFJPXPIY-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.21
Rot. Bonds2

About 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide

5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide (PubChem CID 115488775) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide
PubChem CID115488775
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide
SMILESCc1nccn1-c1ccc(C(N)=S)nc1
InChIInChI=1S/C10H10N4S/c1-7-12-4-5-14(7)8-2-3-9(10(11)15)13-6-8/h2-6H,1H3,(H2,11,15)
InChIKeyNMJROBPFJPXPIY-UHFFFAOYSA-N
XLogP1.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-methylimidazol-1-yl)pyridine-2-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

5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489725
1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone
CID 83119576
N-methyl-5-(2-methylimidazol-1-yl)pyridin-2-amine
CID 169237415
(1R)-1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]propan-1-ol
CID 103938966
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carbothioamide
CID 115488785
5-(4-chloro-3-methylpyrazol-1-yl)pyridine-2-carbothioamide
CID 115488791
5-(4-iodopyrazol-1-yl)pyridine-2-carbothioamide
CID 115488790
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
5-(2-ethylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489732
5-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carbothioamide
CID 113320771
5-(4-bromopyrazol-1-yl)pyridine-2-carbothioamide
CID 115488780

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide (CID 115488775) is 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide is Cc1nccn1-c1ccc(C(N)=S)nc1.
What is the InChIKey of 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide?
The InChIKey is NMJROBPFJPXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-7-12-4-5-14(7)8-2-3-9(10(11)15)13-6-8/h2-6H,1H3,(H2,11,15).
What are the key properties of 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide?
5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide has a molecular weight of 218.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylimidazol-1-yl)pyridine-2-carbothioamide is sourced from PubChem (CID 115488775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).