6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide

C13H22N4S — CID 64588815

IUPAC6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
SMILESCCN(CC)CCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C13H22N4S/c1-3-17(4-2)10-6-9-15-12-8-5-7-11(16-12)13(14)18/h5,7-8H,3-4,6,9-10H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyPLLIBBQSLIKQKT-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.86
Rot. Bonds8

About 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide

6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide (PubChem CID 64588815) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
PubChem CID64588815
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
SMILESCCN(CC)CCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C13H22N4S/c1-3-17(4-2)10-6-9-15-12-8-5-7-11(16-12)13(14)18/h5,7-8H,3-4,6,9-10H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyPLLIBBQSLIKQKT-UHFFFAOYSA-N
XLogP1.86
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-(6-hydrazinyl-2-pyridinyl)propane-1,3-diamine
CID 80944940
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
CID 64587863
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
6-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136897
2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 113406261
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83121797
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
2-chloro-6-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62501763
6-N-[2-(diethylamino)ethyl]pyridine-2,6-diamine
CID 10856706
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide
CID 64588030

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide?
The IUPAC name of 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide (CID 64588815) is 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide is CCN(CC)CCCNc1cccc(C(N)=S)n1.
What is the InChIKey of 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide?
The InChIKey is PLLIBBQSLIKQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-17(4-2)10-6-9-15-12-8-5-7-11(16-12)13(14)18/h5,7-8H,3-4,6,9-10H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide?
6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide has a molecular weight of 266.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 64588815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).