1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea

C11H15ClN2OS — CID 115617781

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
SMILESCC(NC(=O)NC1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-7(9-5-6-10(12)16-9)13-11(15)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15)
InChIKeyOGTHGVSQEKYIDI-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.31
Rot. Bonds3

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea (PubChem CID 115617781) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
PubChem CID115617781
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
SMILESCC(NC(=O)NC1CCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-7(9-5-6-10(12)16-9)13-11(15)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15)
InChIKeyOGTHGVSQEKYIDI-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
CID 54925184
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630565
4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002220
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 43705040
3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033016
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
CID 121180382

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea (CID 115617781) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea is CC(NC(=O)NC1CCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea?
The InChIKey is OGTHGVSQEKYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7(9-5-6-10(12)16-9)13-11(15)14-8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea has a molecular weight of 258.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea is sourced from PubChem (CID 115617781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).