1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea

C17H17N3O2S — CID 121080923

IUPAC1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCCc1cccc2sc(NC(=O)Nc3ccccc3OC)nc12
InChIInChI=1S/C17H17N3O2S/c1-3-11-7-6-10-14-15(11)19-17(23-14)20-16(21)18-12-8-4-5-9-13(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyDLTUQPYBATWYGU-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.51
Rot. Bonds4

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

1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea (PubChem CID 121080923) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
PubChem CID121080923
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCCc1cccc2sc(NC(=O)Nc3ccccc3OC)nc12
InChIInChI=1S/C17H17N3O2S/c1-3-11-7-6-10-14-15(11)19-17(23-14)20-16(21)18-12-8-4-5-9-13(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyDLTUQPYBATWYGU-UHFFFAOYSA-N
XLogP4.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
CID 121082547
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 17383803
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 121082548
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea (CID 121080923) is 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea is CCc1cccc2sc(NC(=O)Nc3ccccc3OC)nc12.
What is the InChIKey of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is DLTUQPYBATWYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-11-7-6-10-14-15(11)19-17(23-14)20-16(21)18-12-8-4-5-9-13(12)22-2/h4-10H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea?
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 327.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 121080923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).