1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea

C19H23N5OS — CID 42951356

IUPAC1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
SMILESCN1CCN(C(CNC(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1
InChIInChI=1S/C19H23N5OS/c1-23-8-10-24(11-9-23)17(18-3-2-12-26-18)14-21-19(25)22-16-6-4-15(13-20)5-7-16/h2-7,12,17H,8-11,14H2,1H3,(H2,21,22,25)
InChIKeyJHGADFFXSSXIGW-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.73
Rot. Bonds5

About 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea

1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea (PubChem CID 42951356) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
PubChem CID42951356
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
SMILESCN1CCN(C(CNC(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1
InChIInChI=1S/C19H23N5OS/c1-23-8-10-24(11-9-23)17(18-3-2-12-26-18)14-21-19(25)22-16-6-4-15(13-20)5-7-16/h2-7,12,17H,8-11,14H2,1H3,(H2,21,22,25)
InChIKeyJHGADFFXSSXIGW-UHFFFAOYSA-N
XLogP2.73
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 43004993
1-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040363
1-(4-nitrophenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 42912300
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3-phenylurea
CID 7525915
1-[(2R)-2-cyanopropyl]-1-methyl-3-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 94030064
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
1-[2-(4-fluorophenyl)ethyl]-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 47022400
1-(4-chlorophenyl)-3-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]urea
CID 7525919
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 52501381

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea (CID 42951356) is 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea is CN1CCN(C(CNC(=O)Nc2ccc(C#N)cc2)c2cccs2)CC1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea?
The InChIKey is JHGADFFXSSXIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-23-8-10-24(11-9-23)17(18-3-2-12-26-18)14-21-19(25)22-16-6-4-15(13-20)5-7-16/h2-7,12,17H,8-11,14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea?
1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea has a molecular weight of 369.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 42951356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).