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

C16H15N3O2S — CID 86844358

IUPAC1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H15N3O2S/c1-2-21-12-9-7-11(8-10-12)17-15(20)19-16-18-13-5-3-4-6-14(13)22-16/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeySEZIKDRHBRBIJE-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.34
Rot. Bonds4

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

1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea (PubChem CID 86844358) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
PubChem CID86844358
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H15N3O2S/c1-2-21-12-9-7-11(8-10-12)17-15(20)19-16-18-13-5-3-4-6-14(13)22-16/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeySEZIKDRHBRBIJE-UHFFFAOYSA-N
XLogP4.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(4-ethylphenyl)urea
CID 46267438
1-(4-chlorophenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
CID 930081
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-ethoxyphenyl)urea
CID 7120930
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369
N-(4-ethoxyphenyl)-1,3-benzothiazole-2-carbothioamide
CID 886259
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948244
1-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 175678594
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1050063
1-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 4146881
1-(1,3-benzothiazol-2-yl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 41328325
N-[1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 4811593

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea (CID 86844358) is 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea?
The InChIKey is SEZIKDRHBRBIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-21-12-9-7-11(8-10-12)17-15(20)19-16-18-13-5-3-4-6-14(13)22-16/h3-10H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea?
1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea has a molecular weight of 313.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 86844358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).