1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

C18H23N5OS — CID 118779226

IUPAC1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCCSc1ccc(NC(=O)NC2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N5OS/c1-2-25-16-5-3-14(4-6-16)21-18(24)22-15-7-11-23(12-8-15)17-13-19-9-10-20-17/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,21,22,24)
InChIKeyWGDQTCRESMCENL-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.38
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (PubChem CID 118779226) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
PubChem CID118779226
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCCSc1ccc(NC(=O)NC2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C18H23N5OS/c1-2-25-16-5-3-14(4-6-16)21-18(24)22-15-7-11-23(12-8-15)17-13-19-9-10-20-17/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,21,22,24)
InChIKeyWGDQTCRESMCENL-UHFFFAOYSA-N
XLogP3.38
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125163687
1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118784685
1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118789447
1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118778072
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
CID 125164422
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125179560
3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 170788464

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (CID 118779226) is 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is CCSc1ccc(NC(=O)NC2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The InChIKey is WGDQTCRESMCENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-2-25-16-5-3-14(4-6-16)21-18(24)22-15-7-11-23(12-8-15)17-13-19-9-10-20-17/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H2,21,22,24).
What are the key properties of 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea has a molecular weight of 357.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 118779226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).