1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea

C17H23N3O2S — CID 111120618

IUPAC1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCCCCCN(CCO)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C17H23N3O2S/c1-2-3-4-9-20(10-11-21)17(22)19-15-7-5-6-14(13-15)16-18-8-12-23-16/h5-8,12-13,21H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyOTWJLMOGLQNCEC-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.83
Rot. Bonds8

About 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea

1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 111120618) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID111120618
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCCCCCN(CCO)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C17H23N3O2S/c1-2-3-4-9-20(10-11-21)17(22)19-15-7-5-6-14(13-15)16-18-8-12-23-16/h5-8,12-13,21H,2-4,9-11H2,1H3,(H,19,22)
InChIKeyOTWJLMOGLQNCEC-UHFFFAOYSA-N
XLogP3.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 47353616
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87035840
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 61173914
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 111120618) is 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea is CCCCCN(CCO)C(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is OTWJLMOGLQNCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-3-4-9-20(10-11-21)17(22)19-15-7-5-6-14(13-15)16-18-8-12-23-16/h5-8,12-13,21H,2-4,9-11H2,1H3,(H,19,22).
What are the key properties of 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 111120618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).