2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole

C17H9Cl2NOS — CID 16649177

IUPAC2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole
SMILESClc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1
InChIInChI=1S/C17H9Cl2NOS/c18-10-5-6-11(12(19)9-10)14-7-8-15(21-14)17-20-13-3-1-2-4-16(13)22-17/h1-9H
InChIKeySNTJQBLACVRTHF-UHFFFAOYSA-N
MW346.24 g/mol
LogP6.53
Rot. Bonds2

About 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole

2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole (PubChem CID 16649177) has the molecular formula C17H9Cl2NOS and a molecular weight of 346.24 g/mol. Its IUPAC name is 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole
PubChem CID16649177
Molecular FormulaC17H9Cl2NOS
Molecular Weight346.24 g/mol
Exact Mass344.98
IUPAC Name2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole
SMILESClc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1
InChIInChI=1S/C17H9Cl2NOS/c18-10-5-6-11(12(19)9-10)14-7-8-15(21-14)17-20-13-3-1-2-4-16(13)22-17/h1-9H
InChIKeySNTJQBLACVRTHF-UHFFFAOYSA-N
XLogP6.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.24
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole
CID 126195133
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 3262712
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
3-benzhydryl-6-[2-[5-(2,4-dichlorophenyl)furan-2-yl]quinolin-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 18871290
(E)-N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17316291
N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-2,5-dichlorobenzamide
CID 23099305
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5016796
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
2-(1,3-benzothiazol-2-yl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 135335745
2-[3-[3-(3-chlorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291592

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole (CID 16649177) is 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole is Clc1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1.
What is the InChIKey of 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole?
The InChIKey is SNTJQBLACVRTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2NOS/c18-10-5-6-11(12(19)9-10)14-7-8-15(21-14)17-20-13-3-1-2-4-16(13)22-17/h1-9H.
What are the key properties of 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole?
2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole has a molecular weight of 346.24 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 16649177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).