1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea

C8H10N2O2S — CID 117235219

IUPAC1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea
SMILESCc1ccc(NC(=O)NCC=O)s1
InChIInChI=1S/C8H10N2O2S/c1-6-2-3-7(13-6)10-8(12)9-4-5-11/h2-3,5H,4H2,1H3,(H2,9,10,12)
InChIKeyHJNIURRBZAQZRL-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.38
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea

1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea (PubChem CID 117235219) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea
PubChem CID117235219
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea
SMILESCc1ccc(NC(=O)NCC=O)s1
InChIInChI=1S/C8H10N2O2S/c1-6-2-3-7(13-6)10-8(12)9-4-5-11/h2-3,5H,4H2,1H3,(H2,9,10,12)
InChIKeyHJNIURRBZAQZRL-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-thien-2-yl-N'-(thien-2-ylmethyl)urea
CID 3242680
4-[2-(methylamino)-2-oxoethyl]-N-(5-methylthiophen-2-yl)piperazine-1-carboxamide
CID 71862272
1-[(1-Acetylpiperidin-4-yl)methyl]-3-(5-methylthiophen-2-yl)urea
CID 75494396
1-[(2S)-2-hydroxypentyl]-3-(5-methylthiophen-2-yl)urea
CID 95992479
1-[(2S)-1-cyanopropan-2-yl]-3-(5-methylthiophen-2-yl)urea
CID 97839477
1-Methyl-3-(5-methylthiophen-2-yl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 109967190
1-(2-Fluoroethyl)-3-(5-methylthiophen-2-yl)urea
CID 130636542
(5-Methylthiophen-2-yl)urea
CID 17941458
1-Methyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-thiophen-2-ylurea
CID 53845819
1-(2-Oxoethylcarbamoyl)-1-phenyl-3-thiophen-2-ylurea
CID 54099268
N-(5-methylthiophen-2-yl)formamide
CID 58762050
Ethyl 2-[(5-cyanothiophen-2-yl)carbamoylamino]acetate
CID 59864124

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea?
The IUPAC name of 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea (CID 117235219) is 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea is Cc1ccc(NC(=O)NCC=O)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea?
The InChIKey is HJNIURRBZAQZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-6-2-3-7(13-6)10-8(12)9-4-5-11/h2-3,5H,4H2,1H3,(H2,9,10,12).
What are the key properties of 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea?
1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea has a molecular weight of 198.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea is sourced from PubChem (CID 117235219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).