2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide

C14H14BrN3OS — CID 107278520

IUPAC2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(N2CCc3sccc3C2)cc1Br
InChIInChI=1S/C14H14BrN3OS/c15-12-7-10(1-2-11(12)14(16)17-19)18-5-3-13-9(8-18)4-6-20-13/h1-2,4,6-7,19H,3,5,8H2,(H2,16,17)
InChIKeyZKSFMUWLBSJGHB-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.17
Rot. Bonds2

About 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide

2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 107278520) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID107278520
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(N2CCc3sccc3C2)cc1Br
InChIInChI=1S/C14H14BrN3OS/c15-12-7-10(1-2-11(12)14(16)17-19)18-5-3-13-9(8-18)4-6-20-13/h1-2,4,6-7,19H,3,5,8H2,(H2,16,17)
InChIKeyZKSFMUWLBSJGHB-UHFFFAOYSA-N
XLogP3.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 107278745
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658127
2-bromo-N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278801
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 28604312
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]methanamine
CID 62299813
2-bromo-N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278802
2-bromo-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 107278750
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
CID 63083216
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-propan-2-yloxyaniline
CID 83002365
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
CID 107278749
4-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-bromobenzamide
CID 107280604
3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 82800897

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide (CID 107278520) is 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(N2CCc3sccc3C2)cc1Br.
What is the InChIKey of 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZKSFMUWLBSJGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c15-12-7-10(1-2-11(12)14(16)17-19)18-5-3-13-9(8-18)4-6-20-13/h1-2,4,6-7,19H,3,5,8H2,(H2,16,17).
What are the key properties of 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 352.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107278520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).