1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea

C11H12N4O2S — CID 99796134

IUPAC1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cnns1
InChIInChI=1S/C11H12N4O2S/c1-2-17-9-6-4-3-5-8(9)13-11(16)14-10-7-12-15-18-10/h3-7H,2H2,1H3,(H2,13,14,16)
InChIKeyVWIMQGGGIWNDCM-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea

1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea (PubChem CID 99796134) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea
PubChem CID99796134
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cnns1
InChIInChI=1S/C11H12N4O2S/c1-2-17-9-6-4-3-5-8(9)13-11(16)14-10-7-12-15-18-10/h3-7H,2H2,1H3,(H2,13,14,16)
InChIKeyVWIMQGGGIWNDCM-UHFFFAOYSA-N
XLogP2.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
CID 108992038
1-(2-ethoxyphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 122302267
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203
N-[2,5-diethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 1428113
N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 7293420
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea (CID 99796134) is 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea is CCOc1ccccc1NC(=O)Nc1cnns1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is VWIMQGGGIWNDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-2-17-9-6-4-3-5-8(9)13-11(16)14-10-7-12-15-18-10/h3-7H,2H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea?
1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 264.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 99796134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).