2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide

C12H19N3S2 — CID 114767990

IUPAC2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
SMILESCCC(CSC)Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C12H19N3S2/c1-4-10(7-17-3)15-11-6-9(12(13)16)5-8(2)14-11/h5-6,10H,4,7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyNHEBEPIGBCBPIX-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.58
Rot. Bonds6

About 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide

2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide (PubChem CID 114767990) has the molecular formula C12H19N3S2 and a molecular weight of 269.44 g/mol. Its IUPAC name is 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
PubChem CID114767990
Molecular FormulaC12H19N3S2
Molecular Weight269.44 g/mol
Exact Mass269.10
IUPAC Name2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
SMILESCCC(CSC)Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C12H19N3S2/c1-4-10(7-17-3)15-11-6-9(12(13)16)5-8(2)14-11/h5-6,10H,4,7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyNHEBEPIGBCBPIX-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.58
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

2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
CID 58503833
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
CID 114767731
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114767407
2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
CID 114767732
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115899327
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767412
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
CID 106549990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide (CID 114767990) is 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide is CCC(CSC)Nc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide?
The InChIKey is NHEBEPIGBCBPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S2/c1-4-10(7-17-3)15-11-6-9(12(13)16)5-8(2)14-11/h5-6,10H,4,7H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide?
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide has a molecular weight of 269.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114767990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).