1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea

C18H19N3O3S — CID 121081028

IUPAC1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1
InChIInChI=1S/C18H19N3O3S/c1-4-24-13-8-6-12(7-9-13)19-17(22)21-18-20-15-14(23-3)10-5-11(2)16(15)25-18/h5-10H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyISFPOPZRBXYISU-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.66
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea

1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea (PubChem CID 121081028) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
PubChem CID121081028
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1
InChIInChI=1S/C18H19N3O3S/c1-4-24-13-8-6-12(7-9-13)19-17(22)21-18-20-15-14(23-3)10-5-11(2)16(15)25-18/h5-10H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyISFPOPZRBXYISU-UHFFFAOYSA-N
XLogP4.66
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenoxy)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43988981
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246
1-(3,5-dimethylphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081034
1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4685723
3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40885029
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)urea
CID 121082501
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
2-(4-ethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16824377
N-[6-[(4-ethoxyphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325883
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7193103
1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302645
1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 86844358

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea (CID 121081028) is 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea is CCOc1ccc(NC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea?
The InChIKey is ISFPOPZRBXYISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-24-13-8-6-12(7-9-13)19-17(22)21-18-20-15-14(23-3)10-5-11(2)16(15)25-18/h5-10H,4H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea?
1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea has a molecular weight of 357.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 121081028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).