2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide

C10H15N3S — CID 58503833

IUPAC2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)C)n1
InChIInChI=1S/C10H15N3S/c1-6(2)12-9-5-8(10(11)14)4-7(3)13-9/h4-6H,1-3H3,(H2,11,14)(H,12,13)
InChIKeyMOFHSNXKTFSMRE-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.84
Rot. Bonds3

About 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide

2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide (PubChem CID 58503833) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
PubChem CID58503833
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)C)n1
InChIInChI=1S/C10H15N3S/c1-6(2)12-9-5-8(10(11)14)4-7(3)13-9/h4-6H,1-3H3,(H2,11,14)(H,12,13)
InChIKeyMOFHSNXKTFSMRE-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
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
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767412
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
CID 114767731
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
CID 114768008

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide (CID 58503833) is 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NC(C)C)n1.
What is the InChIKey of 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide?
The InChIKey is MOFHSNXKTFSMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6(2)12-9-5-8(10(11)14)4-7(3)13-9/h4-6H,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide?
2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide has a molecular weight of 209.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propan-2-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 58503833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).