4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide

C15H26N4S — CID 102993405

IUPAC4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCCN(CCCN(C)C)c1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C15H26N4S/c1-6-19(9-7-8-18(4)5)13-10-11(2)17-12(3)14(13)15(16)20/h10H,6-9H2,1-5H3,(H2,16,20)
InChIKeyMNHYVAYJUQOPDD-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.11
Rot. Bonds7

About 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide

4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 102993405) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide
PubChem CID102993405
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCCN(CCCN(C)C)c1cc(C)nc(C)c1C(N)=S
InChIInChI=1S/C15H26N4S/c1-6-19(9-7-8-18(4)5)13-10-11(2)17-12(3)14(13)15(16)20/h10H,6-9H2,1-5H3,(H2,16,20)
InChIKeyMNHYVAYJUQOPDD-UHFFFAOYSA-N
XLogP2.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide (CID 102993405) is 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide is CCN(CCCN(C)C)c1cc(C)nc(C)c1C(N)=S.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is MNHYVAYJUQOPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-6-19(9-7-8-18(4)5)13-10-11(2)17-12(3)14(13)15(16)20/h10H,6-9H2,1-5H3,(H2,16,20).
What are the key properties of 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide?
4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 294.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylamino]-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 102993405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).