1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea

C10H16N2OS — CID 115686537

IUPAC1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
SMILESCCNC(=O)NCc1sccc1CC
InChIInChI=1S/C10H16N2OS/c1-3-8-5-6-14-9(8)7-12-10(13)11-4-2/h5-6H,3-4,7H2,1-2H3,(H2,11,12,13)
InChIKeySYQUCXVVFSBMFF-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.13
Rot. Bonds4

About 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea

1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea (PubChem CID 115686537) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
PubChem CID115686537
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
SMILESCCNC(=O)NCc1sccc1CC
InChIInChI=1S/C10H16N2OS/c1-3-8-5-6-14-9(8)7-12-10(13)11-4-2/h5-6H,3-4,7H2,1-2H3,(H2,11,12,13)
InChIKeySYQUCXVVFSBMFF-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
(2R)-4-amino-2-[(3-ethylthiophen-2-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107828411
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104686823
propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
CID 116656798
3-[(3-ethylthiophen-2-yl)methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820650
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]hexanoic acid
CID 82848106
1-carbamothioyl-N-[(3-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 80590985
(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
CID 103797879
2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
CID 81169154
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
CID 81079297
N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71972313
4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
CID 102851859

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea (CID 115686537) is 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea is CCNC(=O)NCc1sccc1CC.
What is the InChIKey of 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea?
The InChIKey is SYQUCXVVFSBMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-8-5-6-14-9(8)7-12-10(13)11-4-2/h5-6H,3-4,7H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea?
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea has a molecular weight of 212.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 115686537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).