4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide

C13H22N4S — CID 62927132

IUPAC4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
SMILESCC(C)C(CN(C)C)Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C13H22N4S/c1-9(2)12(8-17(3)4)16-10-5-6-15-11(7-10)13(14)18/h5-7,9,12H,8H2,1-4H3,(H2,14,18)(H,15,16)
InChIKeyMKHIHIBIGKKUST-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.71
Rot. Bonds6

About 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide

4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide (PubChem CID 62927132) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
PubChem CID62927132
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
SMILESCC(C)C(CN(C)C)Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C13H22N4S/c1-9(2)12(8-17(3)4)16-10-5-6-15-11(7-10)13(14)18/h5-7,9,12H,8H2,1-4H3,(H2,14,18)(H,15,16)
InChIKeyMKHIHIBIGKKUST-UHFFFAOYSA-N
XLogP1.71
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.71
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)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
CID 62926794
4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
CID 62926107
4-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-methylbenzenecarbothioamide
CID 81276876
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
CID 106357604
4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 106357616
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carbothioamide
CID 62926454
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide
CID 62926966
4-[1-(furan-2-yl)propan-2-ylamino]pyridine-2-carbothioamide
CID 62925916

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide (CID 62927132) is 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide is CC(C)C(CN(C)C)Nc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide?
The InChIKey is MKHIHIBIGKKUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-9(2)12(8-17(3)4)16-10-5-6-15-11(7-10)13(14)18/h5-7,9,12H,8H2,1-4H3,(H2,14,18)(H,15,16).
What are the key properties of 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide?
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide has a molecular weight of 266.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide is sourced from PubChem (CID 62927132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).