1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one

C13H14N4OS — CID 55110051

IUPAC1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NCc2cncs2)cc1
InChIInChI=1S/C13H14N4OS/c18-13-15-5-6-17(13)11-3-1-10(2-4-11)16-8-12-7-14-9-19-12/h1-4,7,9,16H,5-6,8H2,(H,15,18)
InChIKeyOKXRGVRURUWALK-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.28
Rot. Bonds4

About 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one

1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one (PubChem CID 55110051) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one
PubChem CID55110051
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(NCc2cncs2)cc1
InChIInChI=1S/C13H14N4OS/c18-13-15-5-6-17(13)11-3-1-10(2-4-11)16-8-12-7-14-9-19-12/h1-4,7,9,16H,5-6,8H2,(H,15,18)
InChIKeyOKXRGVRURUWALK-UHFFFAOYSA-N
XLogP2.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one (CID 55110051) is 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(NCc2cncs2)cc1.
What is the InChIKey of 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one?
The InChIKey is OKXRGVRURUWALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-13-15-5-6-17(13)11-3-1-10(2-4-11)16-8-12-7-14-9-19-12/h1-4,7,9,16H,5-6,8H2,(H,15,18).
What are the key properties of 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one?
1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one has a molecular weight of 274.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-5-ylmethylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 55110051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).