3-(tert-butylamino)pyridine-4-carbothioamide

C10H15N3S — CID 114288000

IUPAC3-(tert-butylamino)pyridine-4-carbothioamide
SMILESCC(C)(C)Nc1cnccc1C(N)=S
InChIInChI=1S/C10H15N3S/c1-10(2,3)13-8-6-12-5-4-7(8)9(11)14/h4-6,13H,1-3H3,(H2,11,14)
InChIKeyJKLHJHZVRSVWNT-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.93
Rot. Bonds2

About 3-(tert-butylamino)pyridine-4-carbothioamide

3-(tert-butylamino)pyridine-4-carbothioamide (PubChem CID 114288000) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-(tert-butylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(tert-butylamino)pyridine-4-carbothioamide
PubChem CID114288000
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-(tert-butylamino)pyridine-4-carbothioamide
SMILESCC(C)(C)Nc1cnccc1C(N)=S
InChIInChI=1S/C10H15N3S/c1-10(2,3)13-8-6-12-5-4-7(8)9(11)14/h4-6,13H,1-3H3,(H2,11,14)
InChIKeyJKLHJHZVRSVWNT-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.93
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-(tert-butylamino)benzenecarbothioamide
CID 28600889
3-(2-fluoroethylamino)pyridine-4-carbothioamide
CID 130504428
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbothioamide
CID 114942551
3-anilinopyridine-4-carbothioamide
CID 114287995
3-(pyrimidin-5-ylamino)pyridine-4-carbothioamide
CID 107588810
3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide
CID 106292919
2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
CID 114288182
3-(3,5-dimethylanilino)pyridine-4-carbothioamide
CID 113269508
3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006
3-[(5-methylfuran-2-yl)methylamino]pyridine-4-carbothioamide
CID 113269665
3-[2-(methanesulfonamido)ethylamino]pyridine-4-carbothioamide
CID 114288202
3-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbothioamide
CID 113269667

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(tert-butylamino)pyridine-4-carbothioamide (CID 114288000) is 3-(tert-butylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(tert-butylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(tert-butylamino)pyridine-4-carbothioamide is CC(C)(C)Nc1cnccc1C(N)=S.
What is the InChIKey of 3-(tert-butylamino)pyridine-4-carbothioamide?
The InChIKey is JKLHJHZVRSVWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-10(2,3)13-8-6-12-5-4-7(8)9(11)14/h4-6,13H,1-3H3,(H2,11,14).
What are the key properties of 3-(tert-butylamino)pyridine-4-carbothioamide?
3-(tert-butylamino)pyridine-4-carbothioamide has a molecular weight of 209.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114288000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).