1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea

C12H18N2O2S — CID 56764389

IUPAC1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(O)(CNC(=O)NCc1cccs1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-12(16,9-4-5-9)8-14-11(15)13-7-10-3-2-6-17-10/h2-3,6,9,16H,4-5,7-8H2,1H3,(H2,13,14,15)
InChIKeyORTSKKSZPCWJQQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.71
Rot. Bonds5

About 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea

1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 56764389) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID56764389
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(O)(CNC(=O)NCc1cccs1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-12(16,9-4-5-9)8-14-11(15)13-7-10-3-2-6-17-10/h2-3,6,9,16H,4-5,7-8H2,1H3,(H2,13,14,15)
InChIKeyORTSKKSZPCWJQQ-UHFFFAOYSA-N
XLogP1.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea (CID 56764389) is 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea is CC(O)(CNC(=O)NCc1cccs1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ORTSKKSZPCWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(16,9-4-5-9)8-14-11(15)13-7-10-3-2-6-17-10/h2-3,6,9,16H,4-5,7-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea?
1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 254.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxypropyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 56764389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).