1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

C11H18N4S2 — CID 3003035

IUPAC1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCN1CCCCC1)Nc1nccs1
InChIInChI=1S/C11H18N4S2/c16-10(14-11-13-5-9-17-11)12-4-8-15-6-2-1-3-7-15/h5,9H,1-4,6-8H2,(H2,12,13,14,16)
InChIKeyPUYUIQVADUIHON-UHFFFAOYSA-N
MW270.43 g/mol
LogP1.92
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3003035) has the molecular formula C11H18N4S2 and a molecular weight of 270.43 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3003035
Molecular FormulaC11H18N4S2
Molecular Weight270.43 g/mol
Exact Mass270.10
IUPAC Name1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCN1CCCCC1)Nc1nccs1
InChIInChI=1S/C11H18N4S2/c16-10(14-11-13-5-9-17-11)12-4-8-15-6-2-1-3-7-15/h5,9H,1-4,6-8H2,(H2,12,13,14,16)
InChIKeyPUYUIQVADUIHON-UHFFFAOYSA-N
XLogP1.92
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (CID 3003035) is 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is S=C(NCCN1CCCCC1)Nc1nccs1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is PUYUIQVADUIHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S2/c16-10(14-11-13-5-9-17-11)12-4-8-15-6-2-1-3-7-15/h5,9H,1-4,6-8H2,(H2,12,13,14,16).
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 270.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3003035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).