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

C18H10N2OS2 — CID 854969

IUPAC2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc(-c4nc5ccccc5s4)o3)nc2c1
InChIInChI=1S/C18H10N2OS2/c1-3-7-15-11(5-1)19-17(22-15)13-9-10-14(21-13)18-20-12-6-2-4-8-16(12)23-18/h1-10H
InChIKeyMPZLMUYUIBRMGP-UHFFFAOYSA-N
MW334.43 g/mol
LogP5.83
Rot. Bonds2

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

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole (PubChem CID 854969) has the molecular formula C18H10N2OS2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
PubChem CID854969
Molecular FormulaC18H10N2OS2
Molecular Weight334.43 g/mol
Exact Mass334.02
IUPAC Name2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc(-c4nc5ccccc5s4)o3)nc2c1
InChIInChI=1S/C18H10N2OS2/c1-3-7-15-11(5-1)19-17(22-15)13-9-10-14(21-13)18-20-12-6-2-4-8-16(12)23-18/h1-10H
InChIKeyMPZLMUYUIBRMGP-UHFFFAOYSA-N
XLogP5.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
CID 170888031
2-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-benzothiazole
CID 16649177
2-[5-(5-chloro-2-methylphenyl)furan-2-yl]-1,3-benzothiazole
CID 126195133
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
CID 170891330
(2S)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-hydroxyacetonitrile
CID 101236234
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]prop-2-enoic acid
CID 4961866
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]prop-2-en-1-amine
CID 43215838
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933793
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole (CID 854969) is 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole is c1ccc2sc(-c3ccc(-c4nc5ccccc5s4)o3)nc2c1.
What is the InChIKey of 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole?
The InChIKey is MPZLMUYUIBRMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2OS2/c1-3-7-15-11(5-1)19-17(22-15)13-9-10-14(21-13)18-20-12-6-2-4-8-16(12)23-18/h1-10H.
What are the key properties of 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole?
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole has a molecular weight of 334.43 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 854969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).