(4-methoxy-1,3-benzothiazol-2-yl)urea

C9H9N3O2S — CID 22283036

IUPAC(4-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCOc1cccc2sc(NC(N)=O)nc12
InChIInChI=1S/C9H9N3O2S/c1-14-5-3-2-4-6-7(5)11-9(15-6)12-8(10)13/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyPPBOQWJWGPQHDD-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.80
Rot. Bonds2

About (4-methoxy-1,3-benzothiazol-2-yl)urea

(4-methoxy-1,3-benzothiazol-2-yl)urea (PubChem CID 22283036) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is (4-methoxy-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name(4-methoxy-1,3-benzothiazol-2-yl)urea
PubChem CID22283036
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name(4-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCOc1cccc2sc(NC(N)=O)nc12
InChIInChI=1S/C9H9N3O2S/c1-14-5-3-2-4-6-7(5)11-9(15-6)12-8(10)13/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyPPBOQWJWGPQHDD-UHFFFAOYSA-N
XLogP1.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
2,2,2-trifluoroethyl N-(4-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 52908161
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
1-amino-N-(4-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119271378
1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808850
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
2-(diaminomethylideneamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 15050506
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1,3-benzothiazol-2-yl)urea?
The IUPAC name of (4-methoxy-1,3-benzothiazol-2-yl)urea (CID 22283036) is (4-methoxy-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for (4-methoxy-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for (4-methoxy-1,3-benzothiazol-2-yl)urea is COc1cccc2sc(NC(N)=O)nc12.
What is the InChIKey of (4-methoxy-1,3-benzothiazol-2-yl)urea?
The InChIKey is PPBOQWJWGPQHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-14-5-3-2-4-6-7(5)11-9(15-6)12-8(10)13/h2-4H,1H3,(H3,10,11,12,13).
What are the key properties of (4-methoxy-1,3-benzothiazol-2-yl)urea?
(4-methoxy-1,3-benzothiazol-2-yl)urea has a molecular weight of 223.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 22283036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).