1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea

C16H15N3O3S — CID 8895574

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccc2nc(NC(=O)Nc3ccccc3OC)sc2c1
InChIInChI=1S/C16H15N3O3S/c1-21-10-7-8-12-14(9-10)23-16(18-12)19-15(20)17-11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyPUCRNHFWTVNVPZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.96
Rot. Bonds4

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea

1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea (PubChem CID 8895574) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
PubChem CID8895574
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccc2nc(NC(=O)Nc3ccccc3OC)sc2c1
InChIInChI=1S/C16H15N3O3S/c1-21-10-7-8-12-14(9-10)23-16(18-12)19-15(20)17-11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H2,17,18,19,20)
InChIKeyPUCRNHFWTVNVPZ-UHFFFAOYSA-N
XLogP3.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea (CID 8895574) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea is COc1ccc2nc(NC(=O)Nc3ccccc3OC)sc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is PUCRNHFWTVNVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-10-7-8-12-14(9-10)23-16(18-12)19-15(20)17-11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea?
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 329.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 8895574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).