2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide

C13H16N4OS — CID 62747638

IUPAC2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide
SMILESCc1[nH]cnc1CNc1ccccc1SCC(N)=O
InChIInChI=1S/C13H16N4OS/c1-9-11(17-8-16-9)6-15-10-4-2-3-5-12(10)19-7-13(14)18/h2-5,8,15H,6-7H2,1H3,(H2,14,18)(H,16,17)
InChIKeyRDIQTKLRGLCMOI-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide

2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide (PubChem CID 62747638) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide
PubChem CID62747638
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide
SMILESCc1[nH]cnc1CNc1ccccc1SCC(N)=O
InChIInChI=1S/C13H16N4OS/c1-9-11(17-8-16-9)6-15-10-4-2-3-5-12(10)19-7-13(14)18/h2-5,8,15H,6-7H2,1H3,(H2,14,18)(H,16,17)
InChIKeyRDIQTKLRGLCMOI-UHFFFAOYSA-N
XLogP1.91
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 102833084
4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
2,3-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62741383
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 66385351
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62749408
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide (CID 62747638) is 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide is Cc1[nH]cnc1CNc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is RDIQTKLRGLCMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-11(17-8-16-9)6-15-10-4-2-3-5-12(10)19-7-13(14)18/h2-5,8,15H,6-7H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 276.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 62747638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).