6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide

C14H23N3S — CID 61378479

IUPAC6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide
SMILESCC(C)CN(CC(C)C)c1ccc(C(N)=S)cn1
InChIInChI=1S/C14H23N3S/c1-10(2)8-17(9-11(3)4)13-6-5-12(7-16-13)14(15)18/h5-7,10-11H,8-9H2,1-4H3,(H2,15,18)
InChIKeySGGHETCFDYTGAR-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.83
Rot. Bonds6

About 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide

6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide (PubChem CID 61378479) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide
PubChem CID61378479
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide
SMILESCC(C)CN(CC(C)C)c1ccc(C(N)=S)cn1
InChIInChI=1S/C14H23N3S/c1-10(2)8-17(9-11(3)4)13-6-5-12(7-16-13)14(15)18/h5-7,10-11H,8-9H2,1-4H3,(H2,15,18)
InChIKeySGGHETCFDYTGAR-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide?
The IUPAC name of 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide (CID 61378479) is 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide is CC(C)CN(CC(C)C)c1ccc(C(N)=S)cn1.
What is the InChIKey of 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide?
The InChIKey is SGGHETCFDYTGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10(2)8-17(9-11(3)4)13-6-5-12(7-16-13)14(15)18/h5-7,10-11H,8-9H2,1-4H3,(H2,15,18).
What are the key properties of 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide?
6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide has a molecular weight of 265.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-methylpropyl)amino]pyridine-3-carbothioamide is sourced from PubChem (CID 61378479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).