(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione

C14H20N2OS — CID 892521

IUPAC(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione
SMILESCCOc1ccc(C(=S)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-3-17-13-6-4-12(5-7-13)14(18)16-10-8-15(2)9-11-16/h4-7H,3,8-11H2,1-2H3
InChIKeyCRYOZOXBDDLJDR-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.01
Rot. Bonds3

About (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione

(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione (PubChem CID 892521) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione
PubChem CID892521
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione
SMILESCCOc1ccc(C(=S)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-3-17-13-6-4-12(5-7-13)14(18)16-10-8-15(2)9-11-16/h4-7H,3,8-11H2,1-2H3
InChIKeyCRYOZOXBDDLJDR-UHFFFAOYSA-N
XLogP2.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(3-chloro-5-ethoxy-4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanethione
CID 135578993
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218
N-(3-methylphenyl)-2-[4-(4-methylpiperazine-1-carbothioyl)phenoxy]acetamide
CID 126245971
4-ethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
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4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
(4-ethoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816656
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689
1-(4-ethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea
CID 25238406

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione?
The IUPAC name of (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione (CID 892521) is (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione.
What is the SMILES notation for (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione?
The canonical SMILES for (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione is CCOc1ccc(C(=S)N2CCN(C)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione?
The InChIKey is CRYOZOXBDDLJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-17-13-6-4-12(5-7-13)14(18)16-10-8-15(2)9-11-16/h4-7H,3,8-11H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione?
(4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione has a molecular weight of 264.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(4-methylpiperazin-1-yl)methanethione is sourced from PubChem (CID 892521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).