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

C12H13N3OS2 — CID 107073250

IUPAC6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide
SMILESCc1nc(Cn2c(C)ccc(C(N)=S)c2=O)cs1
InChIInChI=1S/C12H13N3OS2/c1-7-3-4-10(11(13)17)12(16)15(7)5-9-6-18-8(2)14-9/h3-4,6H,5H2,1-2H3,(H2,13,17)
InChIKeyJTIUWVKACNCMJK-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.60
Rot. Bonds3

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

6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide (PubChem CID 107073250) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide
PubChem CID107073250
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide
SMILESCc1nc(Cn2c(C)ccc(C(N)=S)c2=O)cs1
InChIInChI=1S/C12H13N3OS2/c1-7-3-4-10(11(13)17)12(16)15(7)5-9-6-18-8(2)14-9/h3-4,6H,5H2,1-2H3,(H2,13,17)
InChIKeyJTIUWVKACNCMJK-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylbutyl)-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073462
1-[(3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073345
2-(3-carbamothioyl-6-methyl-2-oxo-1-pyridinyl)-N,N-dimethylacetamide
CID 107073408
6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036160
1-[(2-amino-1,3-thiazol-4-yl)methyl]-6-methylpyridin-2-one
CID 60875855
2-chloro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 55152436
2-bromo-3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 107534862
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazine-4-carbothioamide
CID 80511340
6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 116788406
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 114288408
5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 106036205

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide?
The IUPAC name of 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide (CID 107073250) is 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide is Cc1nc(Cn2c(C)ccc(C(N)=S)c2=O)cs1.
What is the InChIKey of 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide?
The InChIKey is JTIUWVKACNCMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-7-3-4-10(11(13)17)12(16)15(7)5-9-6-18-8(2)14-9/h3-4,6H,5H2,1-2H3,(H2,13,17).
What are the key properties of 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide?
6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide has a molecular weight of 279.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide is sourced from PubChem (CID 107073250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).