1-(2-hydroxypropyl)-3-thiophen-2-ylurea

C8H12N2O2S — CID 117235204

IUPAC1-(2-hydroxypropyl)-3-thiophen-2-ylurea
SMILESCC(O)CNC(=O)Nc1cccs1
InChIInChI=1S/C8H12N2O2S/c1-6(11)5-9-8(12)10-7-3-2-4-13-7/h2-4,6,11H,5H2,1H3,(H2,9,10,12)
InChIKeyZWNWGWQNCNZJCM-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.25
Rot. Bonds3

About 1-(2-hydroxypropyl)-3-thiophen-2-ylurea

1-(2-hydroxypropyl)-3-thiophen-2-ylurea (PubChem CID 117235204) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-thiophen-2-ylurea
PubChem CID117235204
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-(2-hydroxypropyl)-3-thiophen-2-ylurea
SMILESCC(O)CNC(=O)Nc1cccs1
InChIInChI=1S/C8H12N2O2S/c1-6(11)5-9-8(12)10-7-3-2-4-13-7/h2-4,6,11H,5H2,1H3,(H2,9,10,12)
InChIKeyZWNWGWQNCNZJCM-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.25
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-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea
CID 6930537
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
CID 95367303
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779
1-(1-hydroxypropan-2-yl)-3-thiophen-2-ylurea
CID 131154153
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816
1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea
CID 122160654
1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
CID 58044673
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 124605589
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
CID 108889188

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(2-hydroxypropyl)-3-thiophen-2-ylurea (CID 117235204) is 1-(2-hydroxypropyl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-thiophen-2-ylurea is CC(O)CNC(=O)Nc1cccs1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-thiophen-2-ylurea?
The InChIKey is ZWNWGWQNCNZJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(11)5-9-8(12)10-7-3-2-4-13-7/h2-4,6,11H,5H2,1H3,(H2,9,10,12).
What are the key properties of 1-(2-hydroxypropyl)-3-thiophen-2-ylurea?
1-(2-hydroxypropyl)-3-thiophen-2-ylurea has a molecular weight of 200.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-thiophen-2-ylurea is sourced from PubChem (CID 117235204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).