N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

C13H15N5OS — CID 6884677

IUPACN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCc1nn(C)cc1/C=N/NC(=O)CSc1ccccn1
InChIInChI=1S/C13H15N5OS/c1-10-11(8-18(2)17-10)7-15-16-12(19)9-20-13-5-3-4-6-14-13/h3-8H,9H2,1-2H3,(H,16,19)/b15-7+
InChIKeyHCDGAAIJUMNFJM-VIZOYTHASA-N
MW289.36 g/mol
LogP1.37
Rot. Bonds5

About N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide

N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 6884677) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
PubChem CID6884677
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
SMILESCc1nn(C)cc1/C=N/NC(=O)CSc1ccccn1
InChIInChI=1S/C13H15N5OS/c1-10-11(8-18(2)17-10)7-15-16-12(19)9-20-13-5-3-4-6-14-13/h3-8H,9H2,1-2H3,(H,16,19)/b15-7+
InChIKeyHCDGAAIJUMNFJM-VIZOYTHASA-N
XLogP1.37
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6862341
2-(6-Pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 7162441
1-Phenyl-4-(pyridin-2-ylsulfanyl)-pyrazolidin-3-one
CID 14840383
2-(6-Pyridin-3-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 7207376
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(trifluoromethyl)pyridine
CID 2745213
1-[3,5-Dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazol-1-yl]ethanone
CID 2745226
Cyclopropyl-[3,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazol-1-yl]methanone
CID 2745227
N'-[(2E,3E)-4-phenylbut-3-en-2-ylidene]-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 9620743
2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
CID 51092385
1-(6-Ethylsulfanyl-3-pyridinyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53574662
3-(Pyridin-2-ylsulfanylmethyl)-1,4-dihydropyrazol-5-one
CID 2799647
2-((6-(Pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 6623994

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide (CID 6884677) is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is Cc1nn(C)cc1/C=N/NC(=O)CSc1ccccn1.
What is the InChIKey of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is HCDGAAIJUMNFJM-VIZOYTHASA-N. The full InChI is InChI=1S/C13H15N5OS/c1-10-11(8-18(2)17-10)7-15-16-12(19)9-20-13-5-3-4-6-14-13/h3-8H,9H2,1-2H3,(H,16,19)/b15-7+.
What are the key properties of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide?
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 289.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 6884677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).