2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide

C12H15N5S — CID 61442220

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
SMILESCN(Cc1cnn(C)c1)c1ncccc1C(N)=S
InChIInChI=1S/C12H15N5S/c1-16(7-9-6-15-17(2)8-9)12-10(11(13)18)4-3-5-14-12/h3-6,8H,7H2,1-2H3,(H2,13,18)
InChIKeyGKHMUZUUSWERMI-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.09
Rot. Bonds4

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide (PubChem CID 61442220) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
PubChem CID61442220
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
SMILESCN(Cc1cnn(C)c1)c1ncccc1C(N)=S
InChIInChI=1S/C12H15N5S/c1-16(7-9-6-15-17(2)8-9)12-10(11(13)18)4-3-5-14-12/h3-6,8H,7H2,1-2H3,(H2,13,18)
InChIKeyGKHMUZUUSWERMI-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

2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413
2-bromo-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenecarbothioamide
CID 107277474
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
CID 64589435
2-fluoro-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115404
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-4-carboximidamide
CID 80513561
[3-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 105382972
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide
CID 105418161
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide (CID 61442220) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide is CN(Cc1cnn(C)c1)c1ncccc1C(N)=S.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide?
The InChIKey is GKHMUZUUSWERMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-16(7-9-6-15-17(2)8-9)12-10(11(13)18)4-3-5-14-12/h3-6,8H,7H2,1-2H3,(H2,13,18).
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-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 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide is sourced from PubChem (CID 61442220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).