1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea

C20H28N4S2 — CID 30726015

IUPAC1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea
SMILESCN1CCN([C@H](CNC(=S)NCCc2ccccc2)c2cccs2)CC1
InChIInChI=1S/C20H28N4S2/c1-23-11-13-24(14-12-23)18(19-8-5-15-26-19)16-22-20(25)21-10-9-17-6-3-2-4-7-17/h2-8,15,18H,9-14,16H2,1H3,(H2,21,22,25)/t18-/m1/s1
InChIKeyCLCICEDAPOAWFO-GOSISDBHSA-N
MW388.61 g/mol
LogP2.74
Rot. Bonds7

About 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea

1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea (PubChem CID 30726015) has the molecular formula C20H28N4S2 and a molecular weight of 388.61 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea
PubChem CID30726015
Molecular FormulaC20H28N4S2
Molecular Weight388.61 g/mol
Exact Mass388.18
IUPAC Name1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea
SMILESCN1CCN([C@H](CNC(=S)NCCc2ccccc2)c2cccs2)CC1
InChIInChI=1S/C20H28N4S2/c1-23-11-13-24(14-12-23)18(19-8-5-15-26-19)16-22-20(25)21-10-9-17-6-3-2-4-7-17/h2-8,15,18H,9-14,16H2,1H3,(H2,21,22,25)/t18-/m1/s1
InChIKeyCLCICEDAPOAWFO-GOSISDBHSA-N
XLogP2.74
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.61
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]thiourea
CID 30726004
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
1-[2-(4-fluorophenyl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 47022400
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410
1-(2-phenylethyl)-3-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]thiourea
CID 2330849
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
1-(2-methylphenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8657230
(E)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-phenylbut-2-enamide
CID 110303053
1-(4-ethylphenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8657315
1-(4-ethylphenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8657309
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
1-(3-chloro-4-methylphenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8696918

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea (CID 30726015) is 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea is CN1CCN([C@H](CNC(=S)NCCc2ccccc2)c2cccs2)CC1.
What is the InChIKey of 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea?
The InChIKey is CLCICEDAPOAWFO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4S2/c1-23-11-13-24(14-12-23)18(19-8-5-15-26-19)16-22-20(25)21-10-9-17-6-3-2-4-7-17/h2-8,15,18H,9-14,16H2,1H3,(H2,21,22,25)/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea?
1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea has a molecular weight of 388.61 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 30726015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).