1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one

C11H13N5OS — CID 155915665

IUPAC1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1ccnc1-c1nccs1
InChIInChI=1S/C11H13N5OS/c17-11-14-2-5-16(11)7-6-15-4-1-12-9(15)10-13-3-8-18-10/h1,3-4,8H,2,5-7H2,(H,14,17)
InChIKeyCKILXFCOCSBWDG-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.03
Rot. Bonds4

About 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one

1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one (PubChem CID 155915665) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one
PubChem CID155915665
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1ccnc1-c1nccs1
InChIInChI=1S/C11H13N5OS/c17-11-14-2-5-16(11)7-6-15-4-1-12-9(15)10-13-3-8-18-10/h1,3-4,8H,2,5-7H2,(H,14,17)
InChIKeyCKILXFCOCSBWDG-UHFFFAOYSA-N
XLogP1.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one (CID 155915665) is 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCn1ccnc1-c1nccs1.
What is the InChIKey of 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is CKILXFCOCSBWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c17-11-14-2-5-16(11)7-6-15-4-1-12-9(15)10-13-3-8-18-10/h1,3-4,8H,2,5-7H2,(H,14,17).
What are the key properties of 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one?
1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 263.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 155915665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).