4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide

C11H15N3S — CID 81061276

IUPAC4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(NC2CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C11H15N3S/c1-6-5-9(14-8-3-4-8)10(11(12)15)7(2)13-6/h5,8H,3-4H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyJCVQXHIJHDDGIL-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.91
Rot. Bonds3

About 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide

4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81061276) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81061276
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(NC2CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C11H15N3S/c1-6-5-9(14-8-3-4-8)10(11(12)15)7(2)13-6/h5,8H,3-4H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyJCVQXHIJHDDGIL-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide (CID 81061276) is 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(NC2CC2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is JCVQXHIJHDDGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-6-5-9(14-8-3-4-8)10(11(12)15)7(2)13-6/h5,8H,3-4H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide?
4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81061276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).