1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one

C13H17N3O2S — CID 47454041

IUPAC1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(Cc1ccsc1)C1CC1)N1CCNC1=O
InChIInChI=1S/C13H17N3O2S/c17-12(16-5-4-14-13(16)18)8-15(11-1-2-11)7-10-3-6-19-9-10/h3,6,9,11H,1-2,4-5,7-8H2,(H,14,18)
InChIKeyKCALCTMADWSGIF-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.26
Rot. Bonds5

About 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one

1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one (PubChem CID 47454041) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one
PubChem CID47454041
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one
SMILESO=C(CN(Cc1ccsc1)C1CC1)N1CCNC1=O
InChIInChI=1S/C13H17N3O2S/c17-12(16-5-4-14-13(16)18)8-15(11-1-2-11)7-10-3-6-19-9-10/h3,6,9,11H,1-2,4-5,7-8H2,(H,14,18)
InChIKeyKCALCTMADWSGIF-UHFFFAOYSA-N
XLogP1.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one (CID 47454041) is 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one is O=C(CN(Cc1ccsc1)C1CC1)N1CCNC1=O.
What is the InChIKey of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one?
The InChIKey is KCALCTMADWSGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-12(16-5-4-14-13(16)18)8-15(11-1-2-11)7-10-3-6-19-9-10/h3,6,9,11H,1-2,4-5,7-8H2,(H,14,18).
What are the key properties of 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one?
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one has a molecular weight of 279.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 47454041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).