3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

C17H18N6OS — CID 47055000

IUPAC3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
SMILESCSc1nccn1-c1cccc(C(=O)NCCNc2cnccn2)c1
InChIInChI=1S/C17H18N6OS/c1-25-17-22-9-10-23(17)14-4-2-3-13(11-14)16(24)21-8-7-20-15-12-18-5-6-19-15/h2-6,9-12H,7-8H2,1H3,(H,19,20)(H,21,24)
InChIKeyDTOUFAYSLZGGAY-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.23
Rot. Bonds7

About 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide

3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide (PubChem CID 47055000) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
PubChem CID47055000
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
SMILESCSc1nccn1-c1cccc(C(=O)NCCNc2cnccn2)c1
InChIInChI=1S/C17H18N6OS/c1-25-17-22-9-10-23(17)14-4-2-3-13(11-14)16(24)21-8-7-20-15-12-18-5-6-19-15/h2-6,9-12H,7-8H2,1H3,(H,19,20)(H,21,24)
InChIKeyDTOUFAYSLZGGAY-UHFFFAOYSA-N
XLogP2.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]phenyl]-3-(propanoylamino)benzamide
CID 137652755
N-[4-[[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-pyridinyl]amino]phenyl]-3-(prop-2-enoylamino)benzamide
CID 137637551
N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]phenyl]-3-(prop-2-enoylamino)benzamide
CID 137650943
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 24685445
N-(3-acetylphenyl)-3-(1H-imidazol-1-yl)butanamide
CID 24761534
N-(4-acetylphenyl)-2-{[1-(2-phenylethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
CID 575169
N-(3,5-dimethylphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide
CID 866679
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 875011
4-((1H-imidazol-2-ylthio)methyl)-N-(2-aminophenyl)benzamide
CID 9923301
N-benzyl-N-[2-(diethylamino)ethyl]-4-imidazol-1-ylbenzamide
CID 14664354
N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 14664367
4-Imidazol-1-yl-N-(4-phenyl-piperazin-2-ylmethyl)-benzamide
CID 14998848

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide (CID 47055000) is 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide is CSc1nccn1-c1cccc(C(=O)NCCNc2cnccn2)c1.
What is the InChIKey of 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
The InChIKey is DTOUFAYSLZGGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-25-17-22-9-10-23(17)14-4-2-3-13(11-14)16(24)21-8-7-20-15-12-18-5-6-19-15/h2-6,9-12H,7-8H2,1H3,(H,19,20)(H,21,24).
What are the key properties of 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide?
3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide has a molecular weight of 354.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylimidazol-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 47055000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).