5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide

C13H15N5OS — CID 106035328

IUPAC5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1c(CNC(=O)c2ccc(C(N)=S)cn2)cnn1C
InChIInChI=1S/C13H15N5OS/c1-8-10(7-17-18(8)2)6-16-13(19)11-4-3-9(5-15-11)12(14)20/h3-5,7H,6H2,1-2H3,(H2,14,20)(H,16,19)
InChIKeyJHARGXUTPAVAEZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.69
Rot. Bonds4

About 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide

5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 106035328) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID106035328
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1c(CNC(=O)c2ccc(C(N)=S)cn2)cnn1C
InChIInChI=1S/C13H15N5OS/c1-8-10(7-17-18(8)2)6-16-13(19)11-4-3-9(5-15-11)12(14)20/h3-5,7H,6H2,1-2H3,(H2,14,20)(H,16,19)
InChIKeyJHARGXUTPAVAEZ-UHFFFAOYSA-N
XLogP0.69
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 114139707
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103861052
5-carbamothioyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63749387
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
5-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106372341
5-carbamothioyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 63748833
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
5-carbamothioyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 63749206
5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 106010055
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]benzenecarbothioamide
CID 106035645
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide (CID 106035328) is 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide is Cc1c(CNC(=O)c2ccc(C(N)=S)cn2)cnn1C.
What is the InChIKey of 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is JHARGXUTPAVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8-10(7-17-18(8)2)6-16-13(19)11-4-3-9(5-15-11)12(14)20/h3-5,7H,6H2,1-2H3,(H2,14,20)(H,16,19).
What are the key properties of 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 106035328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).