1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea

C12H14N2O2S2 — CID 95774033

IUPAC1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
SMILESO=C(NCc1ccsc1)NC[C@H](O)c1cccs1
InChIInChI=1S/C12H14N2O2S2/c15-10(11-2-1-4-18-11)7-14-12(16)13-6-9-3-5-17-8-9/h1-5,8,10,15H,6-7H2,(H2,13,14,16)/t10-/m0/s1
InChIKeyQXSUMINMYSFOAP-JTQLQIEISA-N
MW282.39 g/mol
LogP2.34
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea

1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea (PubChem CID 95774033) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
PubChem CID95774033
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
SMILESO=C(NCc1ccsc1)NC[C@H](O)c1cccs1
InChIInChI=1S/C12H14N2O2S2/c15-10(11-2-1-4-18-11)7-14-12(16)13-6-9-3-5-17-8-9/h1-5,8,10,15H,6-7H2,(H2,13,14,16)/t10-/m0/s1
InChIKeyQXSUMINMYSFOAP-JTQLQIEISA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385
1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504571
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664
1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97317620
1-[(3-cyanophenyl)methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440911
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
1-[[4-[(S)-methylsulfinyl]phenyl]methyl]-3-[(2R)-2-thiophen-2-ylpropyl]urea
CID 97087435
2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
CID 71990852

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea (CID 95774033) is 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea is O=C(NCc1ccsc1)NC[C@H](O)c1cccs1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea?
The InChIKey is QXSUMINMYSFOAP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O2S2/c15-10(11-2-1-4-18-11)7-14-12(16)13-6-9-3-5-17-8-9/h1-5,8,10,15H,6-7H2,(H2,13,14,16)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea?
1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea has a molecular weight of 282.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 95774033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).