2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide

C15H16FN3OS — CID 141166417

IUPAC2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide
SMILESNNC(=O)CN1CCc2sc(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C15H16FN3OS/c16-12-3-1-10(2-4-12)14-7-11-8-19(9-15(20)18-17)6-5-13(11)21-14/h1-4,7H,5-6,8-9,17H2,(H,18,20)
InChIKeyDNGYKSXZHUYWPU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.90
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide

2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide (PubChem CID 141166417) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide
PubChem CID141166417
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide
SMILESNNC(=O)CN1CCc2sc(-c3ccc(F)cc3)cc2C1
InChIInChI=1S/C15H16FN3OS/c16-12-3-1-10(2-4-12)14-7-11-8-19(9-15(20)18-17)6-5-13(11)21-14/h1-4,7H,5-6,8-9,17H2,(H,18,20)
InChIKeyDNGYKSXZHUYWPU-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 141242370
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63573779
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetohydrazide
CID 30617763
5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369248
N-(3,4-dichlorophenyl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 166109556
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
5-[3-(3-fluoroanilino)-3-oxopropyl]-N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 91830161
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 166109553
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41173633
N-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 51170465
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide?
The IUPAC name of 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide (CID 141166417) is 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide is NNC(=O)CN1CCc2sc(-c3ccc(F)cc3)cc2C1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide?
The InChIKey is DNGYKSXZHUYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-12-3-1-10(2-4-12)14-7-11-8-19(9-15(20)18-17)6-5-13(11)21-14/h1-4,7H,5-6,8-9,17H2,(H,18,20).
What are the key properties of 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide?
2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide has a molecular weight of 305.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetohydrazide is sourced from PubChem (CID 141166417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).