2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile

C24H14ClN3OS — CID 108774424

IUPAC2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(Nc2nc3ccc(Cl)cc3s2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H14ClN3OS/c25-17-11-12-19-20(13-17)30-24(27-19)28-23-18(14-26)21(15-7-3-1-4-8-15)22(29-23)16-9-5-2-6-10-16/h1-13H,(H,27,28)
InChIKeyVBAOEJDIULUNQU-UHFFFAOYSA-N
MW427.92 g/mol
LogP7.49
Rot. Bonds4

About 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile

2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile (PubChem CID 108774424) has the molecular formula C24H14ClN3OS and a molecular weight of 427.92 g/mol. Its IUPAC name is 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile
PubChem CID108774424
Molecular FormulaC24H14ClN3OS
Molecular Weight427.92 g/mol
Exact Mass427.05
IUPAC Name2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(Nc2nc3ccc(Cl)cc3s2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H14ClN3OS/c25-17-11-12-19-20(13-17)30-24(27-19)28-23-18(14-26)21(15-7-3-1-4-8-15)22(29-23)16-9-5-2-6-10-16/h1-13H,(H,27,28)
InChIKeyVBAOEJDIULUNQU-UHFFFAOYSA-N
XLogP7.49
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.92
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzonitrile
CID 107106288
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 108757752
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126197840
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
4-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 63516010
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The IUPAC name of 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile (CID 108774424) is 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile is N#Cc1c(Nc2nc3ccc(Cl)cc3s2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
The InChIKey is VBAOEJDIULUNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClN3OS/c25-17-11-12-19-20(13-17)30-24(27-19)28-23-18(14-26)21(15-7-3-1-4-8-15)22(29-23)16-9-5-2-6-10-16/h1-13H,(H,27,28).
What are the key properties of 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile?
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 427.92 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 108774424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).