1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea

C13H14N2O2S — CID 6930537

IUPAC1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea
SMILESO=C(NC[C@@H](O)c1ccccc1)Nc1cccs1
InChIInChI=1S/C13H14N2O2S/c16-11(10-5-2-1-3-6-10)9-14-13(17)15-12-7-4-8-18-12/h1-8,11,16H,9H2,(H2,14,15,17)/t11-/m1/s1
InChIKeyUQUUSGXIFCPNHR-LLVKDONJSA-N
MW262.33 g/mol
LogP2.60
Rot. Bonds4

About 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea

1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea (PubChem CID 6930537) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea
PubChem CID6930537
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea
SMILESO=C(NC[C@@H](O)c1ccccc1)Nc1cccs1
InChIInChI=1S/C13H14N2O2S/c16-11(10-5-2-1-3-6-10)9-14-13(17)15-12-7-4-8-18-12/h1-8,11,16H,9H2,(H2,14,15,17)/t11-/m1/s1
InChIKeyUQUUSGXIFCPNHR-LLVKDONJSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-phenylethyl)-3-thiophen-2-ylurea
CID 2812623
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
CID 95367303
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 124605589
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 97106399
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804496
1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea
CID 122160654
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-thiophen-2-ylurea
CID 30606557
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea (CID 6930537) is 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea is O=C(NC[C@@H](O)c1ccccc1)Nc1cccs1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea?
The InChIKey is UQUUSGXIFCPNHR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-11(10-5-2-1-3-6-10)9-14-13(17)15-12-7-4-8-18-12/h1-8,11,16H,9H2,(H2,14,15,17)/t11-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea?
1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea has a molecular weight of 262.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 6930537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).