1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea

C18H12ClN3O2S — CID 166073375

IUPAC1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc2ccc(-c3ccco3)cc2s1
InChIInChI=1S/C18H12ClN3O2S/c19-12-3-1-4-13(10-12)20-17(23)22-18-21-14-7-6-11(9-16(14)25-18)15-5-2-8-24-15/h1-10H,(H2,20,21,22,23)
InChIKeyCHDQADIZLQQYGP-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.85
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea

1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea (PubChem CID 166073375) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea
PubChem CID166073375
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC Name1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc2ccc(-c3ccco3)cc2s1
InChIInChI=1S/C18H12ClN3O2S/c19-12-3-1-4-13(10-12)20-17(23)22-18-21-14-7-6-11(9-16(14)25-18)15-5-2-8-24-15/h1-10H,(H2,20,21,22,23)
InChIKeyCHDQADIZLQQYGP-UHFFFAOYSA-N
XLogP5.85
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea (CID 166073375) is 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(-c3ccco3)cc2s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea?
The InChIKey is CHDQADIZLQQYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-12-3-1-4-13(10-12)20-17(23)22-18-21-14-7-6-11(9-16(14)25-18)15-5-2-8-24-15/h1-10H,(H2,20,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea has a molecular weight of 369.83 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[6-(furan-2-yl)-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 166073375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).