N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide

C13H14N4OS — CID 79825462

IUPACN-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(N)c(N)n2)cc1
InChIInChI=1S/C13H14N4OS/c1-8(18)16-9-2-4-10(5-3-9)19-12-7-6-11(14)13(15)17-12/h2-7H,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXWFFZVJULQNOJT-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.36
Rot. Bonds3

About N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide

N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide (PubChem CID 79825462) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
PubChem CID79825462
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc(N)c(N)n2)cc1
InChIInChI=1S/C13H14N4OS/c1-8(18)16-9-2-4-10(5-3-9)19-12-7-6-11(14)13(15)17-12/h2-7H,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXWFFZVJULQNOJT-UHFFFAOYSA-N
XLogP2.36
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide 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

N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
N-[4-[(5,6-diamino-2-pyridinyl)oxy]phenyl]acetamide
CID 110178603
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
6-(4-methylsulfonylphenyl)sulfanylpyridine-2,3-diamine
CID 79826303
N-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
CID 62910785
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591
N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide
CID 80864660
N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 80947124
N-[4-(2-amino-4-fluoro-5-methoxyphenyl)sulfanylphenyl]acetamide
CID 63600011
N-[4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]phenyl]acetamide
CID 79881629
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80921163

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide (CID 79825462) is N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(Sc2ccc(N)c(N)n2)cc1.
What is the InChIKey of N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide?
The InChIKey is XWFFZVJULQNOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8(18)16-9-2-4-10(5-3-9)19-12-7-6-11(14)13(15)17-12/h2-7H,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide?
N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide has a molecular weight of 274.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 79825462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).