1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone

C11H18N4OS — CID 118768489

IUPAC1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone
SMILESCSCCN1CCN(C(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C11H18N4OS/c1-17-7-6-14-2-4-15(5-3-14)11(16)10-8-12-9-13-10/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyMZEPHLJABNVKBV-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.53
Rot. Bonds4

About 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone

1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone (PubChem CID 118768489) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone
PubChem CID118768489
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone
SMILESCSCCN1CCN(C(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C11H18N4OS/c1-17-7-6-14-2-4-15(5-3-14)11(16)10-8-12-9-13-10/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyMZEPHLJABNVKBV-UHFFFAOYSA-N
XLogP0.53
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone (CID 118768489) is 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone is CSCCN1CCN(C(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone?
The InChIKey is MZEPHLJABNVKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-17-7-6-14-2-4-15(5-3-14)11(16)10-8-12-9-13-10/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone?
1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone has a molecular weight of 254.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[4-(2-methylsulfanylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118768489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).