2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide

C11H15N3S — CID 58503678

IUPAC2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC2CCC2)n1
InChIInChI=1S/C11H15N3S/c1-7-5-8(11(12)15)6-10(13-7)14-9-3-2-4-9/h5-6,9H,2-4H2,1H3,(H2,12,15)(H,13,14)
InChIKeyXDLBQGUPSMTWSX-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.99
Rot. Bonds3

About 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide

2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide (PubChem CID 58503678) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
PubChem CID58503678
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC2CCC2)n1
InChIInChI=1S/C11H15N3S/c1-7-5-8(11(12)15)6-10(13-7)14-9-3-2-4-9/h5-6,9H,2-4H2,1H3,(H2,12,15)(H,13,14)
InChIKeyXDLBQGUPSMTWSX-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(1-oxothian-4-yl)amino]pyridine-4-carbothioamide
CID 114767979
2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767568
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767900
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
3-(cyclobutylamino)-5-methylbenzenecarbothioamide
CID 58503878
2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide
CID 114767729
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
4-(cyclobutylamino)-3-methylbenzenecarbothioamide
CID 62415378
2-[(3-methylcyclohexyl)amino]pyridine-4-carbothioamide
CID 43370621
N-cyclobutyl-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80919275
2-(4,4-dimethylcyclohexyl)oxy-6-methylpyridine-4-carbothioamide
CID 114768254
2-(1-adamantylamino)-6-methylpyridine-4-carbothioamide
CID 114767043

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide (CID 58503678) is 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NC2CCC2)n1.
What is the InChIKey of 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide?
The InChIKey is XDLBQGUPSMTWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7-5-8(11(12)15)6-10(13-7)14-9-3-2-4-9/h5-6,9H,2-4H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide?
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide has a molecular weight of 221.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 58503678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).