6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone

C14H16N4OS — CID 81256931

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
SMILESCc1cc(NN)c(C(=O)N2CCc3sccc3C2)cn1
InChIInChI=1S/C14H16N4OS/c1-9-6-12(17-15)11(7-16-9)14(19)18-4-2-13-10(8-18)3-5-20-13/h3,5-7H,2,4,8,15H2,1H3,(H,16,17)
InChIKeyDQELXOKJDYBMJZ-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.94
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone (PubChem CID 81256931) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
PubChem CID81256931
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
SMILESCc1cc(NN)c(C(=O)N2CCc3sccc3C2)cn1
InChIInChI=1S/C14H16N4OS/c1-9-6-12(17-15)11(7-16-9)14(19)18-4-2-13-10(8-18)3-5-20-13/h3,5-7H,2,4,8,15H2,1H3,(H,16,17)
InChIKeyDQELXOKJDYBMJZ-UHFFFAOYSA-N
XLogP1.94
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81255936
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-5-methylpyrazine-2-carboxamide
CID 33298248
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone
CID 107377709
(3,4-dihydroxypyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 106673912
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone
CID 62249906
8-azaspiro[4.5]decan-8-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81245839
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-pyridinyl]methanone
CID 62171688
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16622852
(2,5-dichlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24778011
(2-amino-4-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16773852

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone (CID 81256931) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone is Cc1cc(NN)c(C(=O)N2CCc3sccc3C2)cn1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The InChIKey is DQELXOKJDYBMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-9-6-12(17-15)11(7-16-9)14(19)18-4-2-13-10(8-18)3-5-20-13/h3,5-7H,2,4,8,15H2,1H3,(H,16,17).
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone has a molecular weight of 288.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 81256931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).