2-(4-phenylphenyl)-1,3-benzothiazole

C19H13NS — CID 14813271

IUPAC2-(4-phenylphenyl)-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C19H13NS/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)19-20-17-8-4-5-9-18(17)21-19/h1-13H
InChIKeyMBERSLSESCKEED-UHFFFAOYSA-N
MW287.39 g/mol
LogP5.63
Rot. Bonds2

About 2-(4-phenylphenyl)-1,3-benzothiazole

2-(4-phenylphenyl)-1,3-benzothiazole (PubChem CID 14813271) has the molecular formula C19H13NS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1,3-benzothiazole
PubChem CID14813271
Molecular FormulaC19H13NS
Molecular Weight287.39 g/mol
Exact Mass287.08
IUPAC Name2-(4-phenylphenyl)-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C19H13NS/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)19-20-17-8-4-5-9-18(17)21-19/h1-13H
InChIKeyMBERSLSESCKEED-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 8446
CID 8446
CID 5378081
CID 5378081
CID 53421
CID 53421
CID 16953
CID 16953
CID 234475
CID 234475
CID 7087
CID 7087
CID 384525
CID 384525
CID 95755
CID 95755
CID 13439
CID 13439
CID 396813
CID 396813
CID 82450
CID 82450
CID 79765
CID 79765

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(4-phenylphenyl)-1,3-benzothiazole (CID 14813271) is 2-(4-phenylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-phenylphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(4-phenylphenyl)-1,3-benzothiazole is c1ccc(-c2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-1,3-benzothiazole?
The InChIKey is MBERSLSESCKEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NS/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)19-20-17-8-4-5-9-18(17)21-19/h1-13H.
What are the key properties of 2-(4-phenylphenyl)-1,3-benzothiazole?
2-(4-phenylphenyl)-1,3-benzothiazole has a molecular weight of 287.39 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 14813271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).