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

C14H18N6O2S — CID 71907588

IUPAC1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1ccn(-c2nccs2)n1
InChIInChI=1S/C14H18N6O2S/c21-12-3-1-7-19(12)8-2-5-15-13(22)17-11-4-9-20(18-11)14-16-6-10-23-14/h4,6,9-10H,1-3,5,7-8H2,(H2,15,17,18,22)
InChIKeyFXCXGVOECSPCCP-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.46
Rot. Bonds6

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

1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea (PubChem CID 71907588) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea
PubChem CID71907588
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1ccn(-c2nccs2)n1
InChIInChI=1S/C14H18N6O2S/c21-12-3-1-7-19(12)8-2-5-15-13(22)17-11-4-9-20(18-11)14-16-6-10-23-14/h4,6,9-10H,1-3,5,7-8H2,(H2,15,17,18,22)
InChIKeyFXCXGVOECSPCCP-UHFFFAOYSA-N
XLogP1.46
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(1,3-thiazol-2-yl)pyrazol-3-yl]urea?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea (CID 71907588) is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea is O=C(NCCCN1CCCC1=O)Nc1ccn(-c2nccs2)n1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea?
The InChIKey is FXCXGVOECSPCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c21-12-3-1-7-19(12)8-2-5-15-13(22)17-11-4-9-20(18-11)14-16-6-10-23-14/h4,6,9-10H,1-3,5,7-8H2,(H2,15,17,18,22).
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea?
1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea has a molecular weight of 334.41 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea is sourced from PubChem (CID 71907588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).