5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

C14H14BrN3OS — CID 65340065

IUPAC5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ncccc2Br)ccc1OC
InChIInChI=1S/C14H14BrN3OS/c1-19-12-5-4-9(7-10(12)13(16)17)8-20-14-11(15)3-2-6-18-14/h2-7H,8H2,1H3,(H3,16,17)
InChIKeyYZGCOCSDXDNQBS-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.43
Rot. Bonds5

About 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (PubChem CID 65340065) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
PubChem CID65340065
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC Name5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CSc2ncccc2Br)ccc1OC
InChIInChI=1S/C14H14BrN3OS/c1-19-12-5-4-9(7-10(12)13(16)17)8-20-14-11(15)3-2-6-18-14/h2-7H,8H2,1H3,(H3,16,17)
InChIKeyYZGCOCSDXDNQBS-UHFFFAOYSA-N
XLogP3.43
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.43
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'}

Analyze 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65339872
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340490
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779
5-ethyl-2-methoxybenzenecarboximidamide
CID 82490617
4-[(4-bromophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791920
2-(3-methoxypropylsulfanyl)pyridine-3-carboximidamide
CID 63856837
4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791895
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
2-bromo-4,5-dimethoxybenzenecarboximidamide
CID 60926806
5-[(4-chlorophenyl)methoxymethyl]-2-methoxybenzenecarboximidamide
CID 65339965
4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (CID 65340065) is 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(CSc2ncccc2Br)ccc1OC.
What is the InChIKey of 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The InChIKey is YZGCOCSDXDNQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c1-19-12-5-4-9(7-10(12)13(16)17)8-20-14-11(15)3-2-6-18-14/h2-7H,8H2,1H3,(H3,16,17).
What are the key properties of 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide has a molecular weight of 352.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-pyridinyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 65340065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).