1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea

C14H21N3S — CID 2377842

IUPAC1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea
SMILESCCNC(=S)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H21N3S/c1-2-15-14(18)16-12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
InChIKeyBOLOBYUMAPYVRC-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.98
Rot. Bonds3

About 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea

1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea (PubChem CID 2377842) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea
PubChem CID2377842
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea
SMILESCCNC(=S)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H21N3S/c1-2-15-14(18)16-12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
InChIKeyBOLOBYUMAPYVRC-UHFFFAOYSA-N
XLogP2.98
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Diphenylthiourea
CID 700999
1-Allyl-3-phenyl-2-thiourea
CID 1549745
1-Methyl-3-phenylthiourea
CID 698294
4-(4-Ethylpiperazin-1-yl)aniline
CID 936738
Thiourea, N-ethyl-N-phenyl-
CID 825369
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
CID 768560
1-Methyl-1-phenylthiourea
CID 723631
4-(4-Methylpiperazin-1-yl)aniline
CID 737253
1-(p-(Dimethylamino)phenyl)thiourea
CID 2758514
1-Phenyl-3-propyl-2-thiourea
CID 2760408
Thiourea, N-ethyl-N'-phenyl-
CID 2063659
N,N''-1,4-Phenylenebis(thiourea)
CID 684351

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea?
The IUPAC name of 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea (CID 2377842) is 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea?
The canonical SMILES for 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea is CCNC(=S)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea?
The InChIKey is BOLOBYUMAPYVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-15-14(18)16-12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea?
1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea has a molecular weight of 263.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-piperidin-1-ylphenyl)thiourea is sourced from PubChem (CID 2377842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).