1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea

C11H12N4O2S — CID 61346278

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(O)c1ccc(NC(=O)Nc2nncs2)cc1
InChIInChI=1S/C11H12N4O2S/c1-7(16)8-2-4-9(5-3-8)13-10(17)14-11-15-12-6-18-11/h2-7,16H,1H3,(H2,13,14,15,17)
InChIKeyOJMCDSPUGPBJDY-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 61346278) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID61346278
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(O)c1ccc(NC(=O)Nc2nncs2)cc1
InChIInChI=1S/C11H12N4O2S/c1-7(16)8-2-4-9(5-3-8)13-10(17)14-11-15-12-6-18-11/h2-7,16H,1H3,(H2,13,14,15,17)
InChIKeyOJMCDSPUGPBJDY-UHFFFAOYSA-N
XLogP2.24
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
1-(1-methylbenzotriazol-5-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 126147580
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
1-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94187798
1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95977557
N-[1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzamide
CID 87953624
1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 103094731
1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 65482274
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
1-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 5309843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 61346278) is 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea is CC(O)c1ccc(NC(=O)Nc2nncs2)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is OJMCDSPUGPBJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7(16)8-2-4-9(5-3-8)13-10(17)14-11-15-12-6-18-11/h2-7,16H,1H3,(H2,13,14,15,17).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 264.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 61346278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).