1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea

C11H15N3S2 — CID 19703766

IUPAC1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCC1C=CCC1)Nc1nccs1
InChIInChI=1S/C11H15N3S2/c15-10(14-11-13-7-8-16-11)12-6-5-9-3-1-2-4-9/h1,3,7-9H,2,4-6H2,(H2,12,13,14,15)
InChIKeyLOLFDBJLLGCKTK-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.79
Rot. Bonds4

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

1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 19703766) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID19703766
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCCC1C=CCC1)Nc1nccs1
InChIInChI=1S/C11H15N3S2/c15-10(14-11-13-7-8-16-11)12-6-5-9-3-1-2-4-9/h1,3,7-9H,2,4-6H2,(H2,12,13,14,15)
InChIKeyLOLFDBJLLGCKTK-UHFFFAOYSA-N
XLogP2.79
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea (CID 19703766) is 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is S=C(NCCC1C=CCC1)Nc1nccs1.
What is the InChIKey of 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is LOLFDBJLLGCKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c15-10(14-11-13-7-8-16-11)12-6-5-9-3-1-2-4-9/h1,3,7-9H,2,4-6H2,(H2,12,13,14,15).
What are the key properties of 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 253.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopent-2-en-1-ylethyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 19703766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).