4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide

C14H24N4S — CID 62926794

IUPAC4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
SMILESCC(C)CC(CN(C)C)Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C14H24N4S/c1-10(2)7-12(9-18(3)4)17-11-5-6-16-13(8-11)14(15)19/h5-6,8,10,12H,7,9H2,1-4H3,(H2,15,19)(H,16,17)
InChIKeyNQFUYLSBDDYBNE-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.10
Rot. Bonds7

About 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide

4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide (PubChem CID 62926794) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
PubChem CID62926794
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
SMILESCC(C)CC(CN(C)C)Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C14H24N4S/c1-10(2)7-12(9-18(3)4)17-11-5-6-16-13(8-11)14(15)19/h5-6,8,10,12H,7,9H2,1-4H3,(H2,15,19)(H,16,17)
InChIKeyNQFUYLSBDDYBNE-UHFFFAOYSA-N
XLogP2.10
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.10
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-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
CID 62926107
4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
4-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-4-carbothioamide
CID 114288338
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
CID 62926454
4-[1-(furan-2-yl)propan-2-ylamino]pyridine-2-carbothioamide
CID 62925916
4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide
CID 62925030
4-(methylamino)pyridine-2-carbothioamide
CID 62926395
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-fluorobenzenecarbothioamide
CID 63675070

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide (CID 62926794) is 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide is CC(C)CC(CN(C)C)Nc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide?
The InChIKey is NQFUYLSBDDYBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-10(2)7-12(9-18(3)4)17-11-5-6-16-13(8-11)14(15)19/h5-6,8,10,12H,7,9H2,1-4H3,(H2,15,19)(H,16,17).
What are the key properties of 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide?
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide has a molecular weight of 280.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide is sourced from PubChem (CID 62926794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).