1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea

C13H16N2O3S2 — CID 122160654

IUPAC1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea
SMILESO=C(NCC(OCCO)c1cccs1)Nc1cccs1
InChIInChI=1S/C13H16N2O3S2/c16-5-6-18-10(11-3-1-7-19-11)9-14-13(17)15-12-4-2-8-20-12/h1-4,7-8,10,16H,5-6,9H2,(H2,14,15,17)
InChIKeyOQASHGFKFVGFJG-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.68
Rot. Bonds7

About 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea

1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea (PubChem CID 122160654) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea
PubChem CID122160654
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea
SMILESO=C(NCC(OCCO)c1cccs1)Nc1cccs1
InChIInChI=1S/C13H16N2O3S2/c16-5-6-18-10(11-3-1-7-19-11)9-14-13(17)15-12-4-2-8-20-12/h1-4,7-8,10,16H,5-6,9H2,(H2,14,15,17)
InChIKeyOQASHGFKFVGFJG-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]urea
CID 119106134
N'-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 131703311
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
1-(2-hydroxy-2-phenylethyl)-3-thiophen-2-ylurea
CID 2812623
1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea
CID 6930537
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]acetamide
CID 122162567
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
CID 95367303
1-(1-hydroxypropan-2-yl)-3-thiophen-2-ylurea
CID 131154153
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
CID 110706816
2-(1-thiophen-2-ylnonoxy)ethanol
CID 173348232
1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
CID 58044673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea (CID 122160654) is 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea is O=C(NCC(OCCO)c1cccs1)Nc1cccs1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea?
The InChIKey is OQASHGFKFVGFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c16-5-6-18-10(11-3-1-7-19-11)9-14-13(17)15-12-4-2-8-20-12/h1-4,7-8,10,16H,5-6,9H2,(H2,14,15,17).
What are the key properties of 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea?
1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea has a molecular weight of 312.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 122160654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).