2-propylpyridine-4-carbothioamide

C9H12N2S — CID 666418

💊View drug profile → protionamide
IUPAC2-propylpyridine-4-carbothioamide
SMILESCCCc1cc(C(N)=S)ccn1
InChIInChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
InChIKeyVRDIULHPQTYCLN-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.67
Rot. Bonds3

About 2-propylpyridine-4-carbothioamide

2-propylpyridine-4-carbothioamide (PubChem CID 666418) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-propylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-propylpyridine-4-carbothioamide
PubChem CID666418
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-propylpyridine-4-carbothioamide
SMILESCCCc1cc(C(N)=S)ccn1
InChIInChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12)
InChIKeyVRDIULHPQTYCLN-UHFFFAOYSA-N
XLogP1.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.67
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

Nicotine
CID 89594
Ethionamide
CID 2761171
Triprolidine
CID 5282443
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366
5-Ethyl-2-methylpyridine
CID 7728

Frequently Asked Questions

What is the IUPAC name of 2-propylpyridine-4-carbothioamide?
The IUPAC name of 2-propylpyridine-4-carbothioamide (CID 666418) is 2-propylpyridine-4-carbothioamide.
What is the SMILES notation for 2-propylpyridine-4-carbothioamide?
The canonical SMILES for 2-propylpyridine-4-carbothioamide is CCCc1cc(C(N)=S)ccn1.
What is the InChIKey of 2-propylpyridine-4-carbothioamide?
The InChIKey is VRDIULHPQTYCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-3-8-6-7(9(10)12)4-5-11-8/h4-6H,2-3H2,1H3,(H2,10,12).
What are the key properties of 2-propylpyridine-4-carbothioamide?
2-propylpyridine-4-carbothioamide has a molecular weight of 180.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpyridine-4-carbothioamide is sourced from PubChem (CID 666418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).