(4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one

C9H12N2OS — CID 130731723

IUPAC(4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one
SMILESCCc1ccc([C@@H]2CNC(=O)N2)s1
InChIInChI=1S/C9H12N2OS/c1-2-6-3-4-8(13-6)7-5-10-9(12)11-7/h3-4,7H,2,5H2,1H3,(H2,10,11,12)/t7-/m0/s1
InChIKeySYVIKYBRVWZGRS-ZETCQYMHSA-N
MW196.27 g/mol
LogP1.66
Rot. Bonds2

About (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one

(4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one (PubChem CID 130731723) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one
PubChem CID130731723
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name(4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one
SMILESCCc1ccc([C@@H]2CNC(=O)N2)s1
InChIInChI=1S/C9H12N2OS/c1-2-6-3-4-8(13-6)7-5-10-9(12)11-7/h3-4,7H,2,5H2,1H3,(H2,10,11,12)/t7-/m0/s1
InChIKeySYVIKYBRVWZGRS-ZETCQYMHSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one (CID 130731723) is (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one is CCc1ccc([C@@H]2CNC(=O)N2)s1.
What is the InChIKey of (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one?
The InChIKey is SYVIKYBRVWZGRS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-6-3-4-8(13-6)7-5-10-9(12)11-7/h3-4,7H,2,5H2,1H3,(H2,10,11,12)/t7-/m0/s1.
What are the key properties of (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one?
(4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one has a molecular weight of 196.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-ethylthiophen-2-yl)imidazolidin-2-one is sourced from PubChem (CID 130731723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).