1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea

C12H20N2O2S — CID 110896078

IUPAC1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea
SMILESCCCCN(CCO)C(=O)NCc1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-2-3-5-14(6-7-15)12(16)13-9-11-4-8-17-10-11/h4,8,10,15H,2-3,5-7,9H2,1H3,(H,13,16)
InChIKeyMJAAHHIMBZZENI-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.05
Rot. Bonds7

About 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea

1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea (PubChem CID 110896078) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea
PubChem CID110896078
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea
SMILESCCCCN(CCO)C(=O)NCc1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-2-3-5-14(6-7-15)12(16)13-9-11-4-8-17-10-11/h4,8,10,15H,2-3,5-7,9H2,1H3,(H,13,16)
InChIKeyMJAAHHIMBZZENI-UHFFFAOYSA-N
XLogP2.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methoxyethyl)-1-(thiophen-3-ylmethyl)-1-(2,2,2-trifluoroethyl)urea
CID 49717297
1-(2-Methoxyethyl)-3-(thiophen-3-ylmethyl)urea
CID 45559772
1-Cyclopropyl-3-(2-methoxyethyl)-1-(thiophen-3-ylmethyl)urea
CID 49754300
1,3-Dimethyl-1-[(thiophen-3-YL)methyl]urea
CID 53016466
3-Ethyl-1-methyl-1-[(thiophen-3-YL)methyl]urea
CID 53016487
1-Methyl-3-(propan-2-YL)-1-[(thiophen-3-YL)methyl]urea
CID 53016506
3-Tert-butyl-1-methyl-1-[(thiophen-3-YL)methyl]urea
CID 53016528
N-(methylcarbamoyl)-4-[methyl(thiophen-3-ylmethyl)amino]butanamide
CID 53544195
1-(3-Morpholin-4-ylpropyl)-3-(thiophen-3-ylmethyl)urea
CID 60454395
2-methyl-N-(thiophen-3-ylmethyl)morpholine-4-carboxamide
CID 60475753
1-(2-methoxyethyl)-3-(tetrahydro-2H-pyran-4-yl)-1-(thiophen-3-ylmethyl)urea
CID 91812772
1-(2-Hydroxyethyl)-1-(thiophen-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 71934962

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea (CID 110896078) is 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea is CCCCN(CCO)C(=O)NCc1ccsc1.
What is the InChIKey of 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea?
The InChIKey is MJAAHHIMBZZENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-3-5-14(6-7-15)12(16)13-9-11-4-8-17-10-11/h4,8,10,15H,2-3,5-7,9H2,1H3,(H,13,16).
What are the key properties of 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea?
1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea has a molecular weight of 256.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(2-hydroxyethyl)-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 110896078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).