2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole

C18H12ClNOS — CID 126195133

IUPAC2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole
SMILESCc1ccc(Cl)cc1-c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C18H12ClNOS/c1-11-6-7-12(19)10-13(11)15-8-9-16(21-15)18-20-14-4-2-3-5-17(14)22-18/h2-10H,1H3
InChIKeyBRDKSAMJABVXEF-UHFFFAOYSA-N
MW325.82 g/mol
LogP6.19
Rot. Bonds2

About 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole

2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole (PubChem CID 126195133) has the molecular formula C18H12ClNOS and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole
PubChem CID126195133
Molecular FormulaC18H12ClNOS
Molecular Weight325.82 g/mol
Exact Mass325.03
IUPAC Name2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole
SMILESCc1ccc(Cl)cc1-c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C18H12ClNOS/c1-11-6-7-12(19)10-13(11)15-8-9-16(21-15)18-20-14-4-2-3-5-17(14)22-18/h2-10H,1H3
InChIKeyBRDKSAMJABVXEF-UHFFFAOYSA-N
XLogP6.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.82
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole
CID 16649177
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
CID 135074846
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9077612
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
CID 170888031
2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
CID 23179407
2-(2,8-dichloro-7-methylquinolin-3-yl)-1,3-benzothiazole
CID 155806756
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
CID 170891330
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5016796
N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 60517836

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole (CID 126195133) is 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole is Cc1ccc(Cl)cc1-c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole?
The InChIKey is BRDKSAMJABVXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNOS/c1-11-6-7-12(19)10-13(11)15-8-9-16(21-15)18-20-14-4-2-3-5-17(14)22-18/h2-10H,1H3.
What are the key properties of 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole?
2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole has a molecular weight of 325.82 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 126195133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).