1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea

C15H18N2O2S2 — CID 71781783

IUPAC1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C15H18N2O2S2/c18-14(16-9-12-3-1-7-20-12)17-10-15(19,11-5-6-11)13-4-2-8-21-13/h1-4,7-8,11,19H,5-6,9-10H2,(H2,16,17,18)
InChIKeyGWYBXTKOVXMHPM-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.91
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea

1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 71781783) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID71781783
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C15H18N2O2S2/c18-14(16-9-12-3-1-7-20-12)17-10-15(19,11-5-6-11)13-4-2-8-21-13/h1-4,7-8,11,19H,5-6,9-10H2,(H2,16,17,18)
InChIKeyGWYBXTKOVXMHPM-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea (CID 71781783) is 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is GWYBXTKOVXMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c18-14(16-9-12-3-1-7-20-12)17-10-15(19,11-5-6-11)13-4-2-8-21-13/h1-4,7-8,11,19H,5-6,9-10H2,(H2,16,17,18).
What are the key properties of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea?
1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 322.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71781783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).