4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline

C12H15N3S — CID 168878323

IUPAC4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline
SMILESCCSc1nccn1-c1ccc(NC)cc1
InChIInChI=1S/C12H15N3S/c1-3-16-12-14-8-9-15(12)11-6-4-10(13-2)5-7-11/h4-9,13H,3H2,1-2H3
InChIKeySAAPSGJHGHQXTG-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.03
Rot. Bonds4

About 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline

4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline (PubChem CID 168878323) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline
PubChem CID168878323
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline
SMILESCCSc1nccn1-c1ccc(NC)cc1
InChIInChI=1S/C12H15N3S/c1-3-16-12-14-8-9-15(12)11-6-4-10(13-2)5-7-11/h4-9,13H,3H2,1-2H3
InChIKeySAAPSGJHGHQXTG-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylethanol
CID 82129775
2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylethanol
CID 82129265
2-[1-(4-methylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 82128403
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063705
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 82131580
3-[1-[4-(dimethylamino)phenyl]imidazol-2-yl]sulfanyl-1,1,1-trifluoropropan-2-ol
CID 102561454
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 82132376
2-[1-(4-methylsulfanylphenyl)imidazol-2-yl]sulfanylacetic acid
CID 29063549
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
N-(3,5-dimethylphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4184858

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline?
The IUPAC name of 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline (CID 168878323) is 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline.
What is the SMILES notation for 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline?
The canonical SMILES for 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline is CCSc1nccn1-c1ccc(NC)cc1.
What is the InChIKey of 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline?
The InChIKey is SAAPSGJHGHQXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-16-12-14-8-9-15(12)11-6-4-10(13-2)5-7-11/h4-9,13H,3H2,1-2H3.
What are the key properties of 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline?
4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline has a molecular weight of 233.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylimidazol-1-yl)-N-methylaniline is sourced from PubChem (CID 168878323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).