1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea

C19H15N3O2S — CID 1225805

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea
SMILESCOc1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1
InChIInChI=1S/C19H15N3O2S/c1-24-13-9-10-16-17(11-13)25-19(21-16)22-18(23)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyXGMCYKRHLKWXRB-UHFFFAOYSA-N
MW349.42 g/mol
LogP5.10
Rot. Bonds3

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea

1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea (PubChem CID 1225805) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea
PubChem CID1225805
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea
SMILESCOc1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1
InChIInChI=1S/C19H15N3O2S/c1-24-13-9-10-16-17(11-13)25-19(21-16)22-18(23)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyXGMCYKRHLKWXRB-UHFFFAOYSA-N
XLogP5.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.42
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea (CID 1225805) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea is COc1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea?
The InChIKey is XGMCYKRHLKWXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-13-9-10-16-17(11-13)25-19(21-16)22-18(23)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H2,20,21,22,23).
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea?
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea has a molecular weight of 349.42 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 1225805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).