4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide

C13H22N4S — CID 62926107

IUPAC4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
SMILESCCN(CC)CC(C)Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C13H22N4S/c1-4-17(5-2)9-10(3)16-11-6-7-15-12(8-11)13(14)18/h6-8,10H,4-5,9H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyLTZNUVAIKGEGSM-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.86
Rot. Bonds7

About 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide

4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide (PubChem CID 62926107) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
PubChem CID62926107
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
SMILESCCN(CC)CC(C)Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C13H22N4S/c1-4-17(5-2)9-10(3)16-11-6-7-15-12(8-11)13(14)18/h6-8,10H,4-5,9H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyLTZNUVAIKGEGSM-UHFFFAOYSA-N
XLogP1.86
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
CID 62926794
4-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
4-[1-(furan-2-yl)propan-2-ylamino]pyridine-2-carbothioamide
CID 62925916
2-bromo-4-[1-(diethylamino)propan-2-ylamino]benzenecarbothioamide
CID 107277683
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
CID 62926454
2-[1-(diethylamino)propan-2-ylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547215
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide
CID 62925030

Frequently Asked Questions

What is the IUPAC name of 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide?
The IUPAC name of 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide (CID 62926107) is 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide is CCN(CC)CC(C)Nc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide?
The InChIKey is LTZNUVAIKGEGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-17(5-2)9-10(3)16-11-6-7-15-12(8-11)13(14)18/h6-8,10H,4-5,9H2,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide?
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide has a molecular weight of 266.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 62926107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).