2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide

C13H17N5S — CID 107463320

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide
SMILESCCc1nn(C)cc1Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C13H17N5S/c1-4-10-11(7-18(3)17-10)16-12-6-9(13(14)19)5-8(2)15-12/h5-7H,4H2,1-3H3,(H2,14,19)(H,15,16)
InChIKeyQKRNUCSNVKPIMP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.06
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide

2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 107463320) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID107463320
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide
SMILESCCc1nn(C)cc1Nc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C13H17N5S/c1-4-10-11(7-18(3)17-10)16-12-6-9(13(14)19)5-8(2)15-12/h5-7H,4H2,1-3H3,(H2,14,19)(H,15,16)
InChIKeyQKRNUCSNVKPIMP-UHFFFAOYSA-N
XLogP2.06
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.06
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-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 107463689
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridazin-3-amine
CID 107463688
(3-ethyl-1-methylpyrazol-4-yl)thiourea
CID 107462555
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinylpyrazin-2-amine
CID 107465301
2-chloro-4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 107463292
2-cyclopropyl-N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinylpyrimidin-4-amine
CID 107465277
4-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107465163
2-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,6-diamine
CID 107465113
2-bromo-6-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 107463322
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide (CID 107463320) is 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide is CCc1nn(C)cc1Nc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is QKRNUCSNVKPIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-4-10-11(7-18(3)17-10)16-12-6-9(13(14)19)5-8(2)15-12/h5-7H,4H2,1-3H3,(H2,14,19)(H,15,16).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide?
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 275.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 107463320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).