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

C12H13N3O2S — CID 47442231

IUPAC1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(NCCO)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C12H13N3O2S/c16-6-4-14-12(17)15-10-3-1-2-9(8-10)11-13-5-7-18-11/h1-3,5,7-8,16H,4,6H2,(H2,14,15,17)
InChIKeyVHYGAIWZWQEREN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.92
Rot. Bonds4

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

1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 47442231) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID47442231
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(NCCO)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C12H13N3O2S/c16-6-4-14-12(17)15-10-3-1-2-9(8-10)11-13-5-7-18-11/h1-3,5,7-8,16H,4,6H2,(H2,14,15,17)
InChIKeyVHYGAIWZWQEREN-UHFFFAOYSA-N
XLogP1.92
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545810
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545843
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 111631344
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
1-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87044600
1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 111120618
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 47442231) is 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea is O=C(NCCO)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is VHYGAIWZWQEREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-6-4-14-12(17)15-10-3-1-2-9(8-10)11-13-5-7-18-11/h1-3,5,7-8,16H,4,6H2,(H2,14,15,17).
What are the key properties of 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 263.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 47442231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).