1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea

C9H10N4O2S — CID 3149528

IUPAC1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc2nsnc2c1
InChIInChI=1S/C9H10N4O2S/c14-4-3-10-9(15)11-6-1-2-7-8(5-6)13-16-12-7/h1-2,5,14H,3-4H2,(H2,10,11,15)
InChIKeyDYSHTSRUGBHSRK-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.81
Rot. Bonds3

About 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea

1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea (PubChem CID 3149528) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea
PubChem CID3149528
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1ccc2nsnc2c1
InChIInChI=1S/C9H10N4O2S/c14-4-3-10-9(15)11-6-1-2-7-8(5-6)13-16-12-7/h1-2,5,14H,3-4H2,(H2,10,11,15)
InChIKeyDYSHTSRUGBHSRK-UHFFFAOYSA-N
XLogP0.81
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,1,3-Benzothiadiazol-4-yl)-3-phenylurea
CID 748227
3-(2,1,3-Benzothiadiazol-5-yl)-1,1-di(propan-2-yl)urea
CID 1072934
1-(2,1,3-Benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea
CID 1072935
1-(2,1,3-Benzothiadiazol-5-yl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 778344
N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide
CID 804116
N-2,1,3-benzothiadiazol-5-yl-1-azepanecarboxamide
CID 804374
1-Benzo[1,2,5]thiadiazol-5-yl-3-cyclohexyl-urea
CID 1072944
N-2,1,3-benzothiadiazol-5-yl-N'-(2-hydroxyethyl)thiourea
CID 3354766
N-(2,1,3-benzothiadiazol-5-yl)-4-methylpiperidine-1-carboxamide
CID 753193
N-allyl-N'-2,1,3-benzothiadiazol-5-ylthiourea
CID 2300643
1-(2,1,3-Benzothiadiazol-5-yl)-3-(2-methoxyethyl)thiourea
CID 2300845
N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide
CID 2823093

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea (CID 3149528) is 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1ccc2nsnc2c1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea?
The InChIKey is DYSHTSRUGBHSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c14-4-3-10-9(15)11-6-1-2-7-8(5-6)13-16-12-7/h1-2,5,14H,3-4H2,(H2,10,11,15).
What are the key properties of 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea?
1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea has a molecular weight of 238.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-5-yl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 3149528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).