1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea

C13H22N2OS — CID 115575874

IUPAC1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
SMILESCCN(CC)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-5-15(6-2)13(16)14-12(10(3)4)11-8-7-9-17-11/h7-10,12H,5-6H2,1-4H3,(H,14,16)
InChIKeyZXEDKBJQGFFFIH-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.50
Rot. Bonds5

About 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea

1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea (PubChem CID 115575874) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
PubChem CID115575874
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
SMILESCCN(CC)C(=O)NC(c1cccs1)C(C)C
InChIInChI=1S/C13H22N2OS/c1-5-15(6-2)13(16)14-12(10(3)4)11-8-7-9-17-11/h7-10,12H,5-6H2,1-4H3,(H,14,16)
InChIKeyZXEDKBJQGFFFIH-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
CID 79270902
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
3-[ethyl(1-thiophen-2-ylpropylcarbamoyl)amino]-2-methylpropanoic acid
CID 62853749
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
2-[[ethyl(propyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278882
(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide
CID 51941096
2-bromo-3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43699738
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46667554
2-chloro-N-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]acetamide
CID 54968395

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea (CID 115575874) is 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea is CCN(CC)C(=O)NC(c1cccs1)C(C)C.
What is the InChIKey of 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea?
The InChIKey is ZXEDKBJQGFFFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-15(6-2)13(16)14-12(10(3)4)11-8-7-9-17-11/h7-10,12H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea?
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea has a molecular weight of 254.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 115575874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).