2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

C17H22N4OS — CID 5217717

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nc(-c2ccccc2)cn1N
InChIInChI=1S/C17H22N4OS/c1-13-7-5-6-10-20(13)16(22)12-23-17-19-15(11-21(17)18)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12,18H2,1H3
InChIKeyMEIGEQZPAIGPOW-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.76
Rot. Bonds4

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 5217717) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID5217717
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nc(-c2ccccc2)cn1N
InChIInChI=1S/C17H22N4OS/c1-13-7-5-6-10-20(13)16(22)12-23-17-19-15(11-21(17)18)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12,18H2,1H3
InChIKeyMEIGEQZPAIGPOW-UHFFFAOYSA-N
XLogP2.76
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone (CID 5217717) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSc1nc(-c2ccccc2)cn1N.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is MEIGEQZPAIGPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-7-5-6-10-20(13)16(22)12-23-17-19-15(11-21(17)18)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12,18H2,1H3.
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 330.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5217717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).