2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide

C13H16N4S2 — CID 114767732

IUPAC2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)c2nc(C)cs2)n1
InChIInChI=1S/C13H16N4S2/c1-7-4-10(12(14)18)5-11(15-7)17-9(3)13-16-8(2)6-19-13/h4-6,9H,1-3H3,(H2,14,18)(H,15,17)
InChIKeyNKVPDSCTBWLRKY-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.96
Rot. Bonds4

About 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide

2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide (PubChem CID 114767732) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
PubChem CID114767732
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)c2nc(C)cs2)n1
InChIInChI=1S/C13H16N4S2/c1-7-4-10(12(14)18)5-11(15-7)17-9(3)13-16-8(2)6-19-13/h4-6,9H,1-3H3,(H2,14,18)(H,15,17)
InChIKeyNKVPDSCTBWLRKY-UHFFFAOYSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide (CID 114767732) is 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NC(C)c2nc(C)cs2)n1.
What is the InChIKey of 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide?
The InChIKey is NKVPDSCTBWLRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-7-4-10(12(14)18)5-11(15-7)17-9(3)13-16-8(2)6-19-13/h4-6,9H,1-3H3,(H2,14,18)(H,15,17).
What are the key properties of 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide?
2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide has a molecular weight of 292.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).