1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea

C11H16N4OS2 — CID 3003037

IUPAC1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESO=C1CCCN1CCCNC(=S)Nc1nccs1
InChIInChI=1S/C11H16N4OS2/c16-9-3-1-6-15(9)7-2-4-12-10(17)14-11-13-5-8-18-11/h5,8H,1-4,6-7H2,(H2,12,13,14,17)
InChIKeyADSHELIUQUWXKE-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.44
Rot. Bonds5

About 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea

1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3003037) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3003037
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea
SMILESO=C1CCCN1CCCNC(=S)Nc1nccs1
InChIInChI=1S/C11H16N4OS2/c16-9-3-1-6-15(9)7-2-4-12-10(17)14-11-13-5-8-18-11/h5,8H,1-4,6-7H2,(H2,12,13,14,17)
InChIKeyADSHELIUQUWXKE-UHFFFAOYSA-N
XLogP1.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea (CID 3003037) is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea is O=C1CCCN1CCCNC(=S)Nc1nccs1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is ADSHELIUQUWXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c16-9-3-1-6-15(9)7-2-4-12-10(17)14-11-13-5-8-18-11/h5,8H,1-4,6-7H2,(H2,12,13,14,17).
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea?
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 284.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3003037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).