1-cyclopentyl-3-pyridin-3-ylthiourea

C11H15N3S — CID 971540

IUPAC1-cyclopentyl-3-pyridin-3-ylthiourea
SMILESS=C(Nc1cccnc1)NC1CCCC1
InChIInChI=1S/C11H15N3S/c15-11(13-9-4-1-2-5-9)14-10-6-3-7-12-8-10/h3,6-9H,1-2,4-5H2,(H2,13,14,15)
InChIKeyKONXCLAQRPSPEM-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.31
Rot. Bonds2

About 1-cyclopentyl-3-pyridin-3-ylthiourea

1-cyclopentyl-3-pyridin-3-ylthiourea (PubChem CID 971540) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-pyridin-3-ylthiourea
PubChem CID971540
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-cyclopentyl-3-pyridin-3-ylthiourea
SMILESS=C(Nc1cccnc1)NC1CCCC1
InChIInChI=1S/C11H15N3S/c15-11(13-9-4-1-2-5-9)14-10-6-3-7-12-8-10/h3,6-9H,1-2,4-5H2,(H2,13,14,15)
InChIKeyKONXCLAQRPSPEM-UHFFFAOYSA-N
XLogP2.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopentyl-3-pyridin-3-ylthiourea?
The IUPAC name of 1-cyclopentyl-3-pyridin-3-ylthiourea (CID 971540) is 1-cyclopentyl-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-cyclopentyl-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-cyclopentyl-3-pyridin-3-ylthiourea is S=C(Nc1cccnc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-pyridin-3-ylthiourea?
The InChIKey is KONXCLAQRPSPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c15-11(13-9-4-1-2-5-9)14-10-6-3-7-12-8-10/h3,6-9H,1-2,4-5H2,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-pyridin-3-ylthiourea?
1-cyclopentyl-3-pyridin-3-ylthiourea has a molecular weight of 221.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-pyridin-3-ylthiourea is sourced from PubChem (CID 971540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).