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

C15H11Cl2N3O2S — CID 4206727

IUPAC1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc2nc(NC(=O)Nc3cccc(Cl)c3Cl)sc2c1
InChIInChI=1S/C15H11Cl2N3O2S/c1-22-8-5-6-10-12(7-8)23-15(19-10)20-14(21)18-11-4-2-3-9(16)13(11)17/h2-7H,1H3,(H2,18,19,20,21)
InChIKeyHBVIYDCDPHODIV-UHFFFAOYSA-N
MW368.25 g/mol
LogP5.26
Rot. Bonds3

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

1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea (PubChem CID 4206727) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
PubChem CID4206727
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
SMILESCOc1ccc2nc(NC(=O)Nc3cccc(Cl)c3Cl)sc2c1
InChIInChI=1S/C15H11Cl2N3O2S/c1-22-8-5-6-10-12(7-8)23-15(19-10)20-14(21)18-11-4-2-3-9(16)13(11)17/h2-7H,1H3,(H2,18,19,20,21)
InChIKeyHBVIYDCDPHODIV-UHFFFAOYSA-N
XLogP5.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.25
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 20885064
2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]propanamide
CID 43328820
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2085098
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)urea
CID 110676070
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea (CID 4206727) is 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea is COc1ccc2nc(NC(=O)Nc3cccc(Cl)c3Cl)sc2c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
The InChIKey is HBVIYDCDPHODIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c1-22-8-5-6-10-12(7-8)23-15(19-10)20-14(21)18-11-4-2-3-9(16)13(11)17/h2-7H,1H3,(H2,18,19,20,21).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea?
1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea has a molecular weight of 368.25 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 4206727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).