6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide

C12H15N5S — CID 64589435

IUPAC6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
SMILESCN(Cc1cnn(C)c1)c1cccc(C(N)=S)n1
InChIInChI=1S/C12H15N5S/c1-16(7-9-6-14-17(2)8-9)11-5-3-4-10(15-11)12(13)18/h3-6,8H,7H2,1-2H3,(H2,13,18)
InChIKeyFGECSGXGADFOMI-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.09
Rot. Bonds4

About 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide

6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide (PubChem CID 64589435) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
PubChem CID64589435
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
SMILESCN(Cc1cnn(C)c1)c1cccc(C(N)=S)n1
InChIInChI=1S/C12H15N5S/c1-16(7-9-6-14-17(2)8-9)11-5-3-4-10(15-11)12(13)18/h3-6,8H,7H2,1-2H3,(H2,13,18)
InChIKeyFGECSGXGADFOMI-UHFFFAOYSA-N
XLogP1.09
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.09
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

[6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-pyridinyl]methanol
CID 62254806
6-[(4-chlorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589054
6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589215
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
6-(dimethylamino)pyridine-2-carbothioamide
CID 64587455
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylic acid
CID 61440138
2-bromo-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenecarbothioamide
CID 107277474
2-fluoro-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115404
2-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 107105590
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide (CID 64589435) is 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide is CN(Cc1cnn(C)c1)c1cccc(C(N)=S)n1.
What is the InChIKey of 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide?
The InChIKey is FGECSGXGADFOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-16(7-9-6-14-17(2)8-9)11-5-3-4-10(15-11)12(13)18/h3-6,8H,7H2,1-2H3,(H2,13,18).
What are the key properties of 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide?
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide has a molecular weight of 261.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64589435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).