1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

C13H15ClN2O2S2 — CID 111440861

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCC(NC(=O)NCC(O)c1ccsc1)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-8(11-2-3-12(14)20-11)16-13(18)15-6-10(17)9-4-5-19-7-9/h2-5,7-8,10,17H,6H2,1H3,(H2,15,16,18)
InChIKeyOSBCLMATRSOKOH-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.56
Rot. Bonds5

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (PubChem CID 111440861) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
PubChem CID111440861
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
SMILESCC(NC(=O)NCC(O)c1ccsc1)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-8(11-2-3-12(14)20-11)16-13(18)15-6-10(17)9-4-5-19-7-9/h2-5,7-8,10,17H,6H2,1H3,(H2,15,16,18)
InChIKeyOSBCLMATRSOKOH-UHFFFAOYSA-N
XLogP3.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 78879839
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 111505380
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea (CID 111440861) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is CC(NC(=O)NCC(O)c1ccsc1)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
The InChIKey is OSBCLMATRSOKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-8(11-2-3-12(14)20-11)16-13(18)15-6-10(17)9-4-5-19-7-9/h2-5,7-8,10,17H,6H2,1H3,(H2,15,16,18).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea has a molecular weight of 330.86 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 111440861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).