N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide

C14H16N4OS — CID 103059780

IUPACN-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide
SMILESCNc1cnc(CSc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C14H16N4OS/c1-10(19)18-11-3-5-13(6-4-11)20-9-12-7-17-14(15-2)8-16-12/h3-8H,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNRQNWVZIRKFZAU-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.77
Rot. Bonds5

About N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide

N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide (PubChem CID 103059780) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide
PubChem CID103059780
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide
SMILESCNc1cnc(CSc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C14H16N4OS/c1-10(19)18-11-3-5-13(6-4-11)20-9-12-7-17-14(15-2)8-16-12/h3-8H,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNRQNWVZIRKFZAU-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]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-(methylamino)pyrazin-2-yl]phenyl]acetamide
CID 138578643
2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol
CID 103060050
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
CID 18209765
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059893
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
CID 4789560
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
5-[(4-acetamidophenyl)sulfanylmethyl]-1-methylpyrazole-4-carboxylic acid
CID 116629893
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine
CID 103059921
4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
CID 27355031

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide (CID 103059780) is N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide is CNc1cnc(CSc2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide?
The InChIKey is NRQNWVZIRKFZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10(19)18-11-3-5-13(6-4-11)20-9-12-7-17-14(15-2)8-16-12/h3-8H,9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide?
N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide has a molecular weight of 288.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 103059780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).