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

C17H17N3O3S — CID 121080246

IUPAC1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc3c(OC)cccc3s2)cc1
InChIInChI=1S/C17H17N3O3S/c1-3-23-12-9-7-11(8-10-12)18-16(21)20-17-19-15-13(22-2)5-4-6-14(15)24-17/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyREPNXMRYBUSFTE-UHFFFAOYSA-N
MW343.41 g/mol
LogP4.35
Rot. Bonds5

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

1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea (PubChem CID 121080246) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
PubChem CID121080246
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc3c(OC)cccc3s2)cc1
InChIInChI=1S/C17H17N3O3S/c1-3-23-12-9-7-11(8-10-12)18-16(21)20-17-19-15-13(22-2)5-4-6-14(15)24-17/h4-10H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyREPNXMRYBUSFTE-UHFFFAOYSA-N
XLogP4.35
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081028
1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 86844358
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
1-(4-ethoxyphenyl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]propan-1-one;hydrobromide
CID 19234227
4-ethoxy-N-[(2S)-1-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55943486
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491929
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082151
1-(4-methoxy-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082158

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea (CID 121080246) is 1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea is CCOc1ccc(NC(=O)Nc2nc3c(OC)cccc3s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea?
The InChIKey is REPNXMRYBUSFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-23-12-9-7-11(8-10-12)18-16(21)20-17-19-15-13(22-2)5-4-6-14(15)24-17/h4-10H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea?
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea has a molecular weight of 343.41 g/mol, XLogP of 4.35, 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-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 121080246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).