2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole

C24H14N4S2 — CID 102253466

IUPAC2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
InChIInChI=1S/C24H14N4S2/c1-3-7-21-17(5-1)27-23(29-21)15-9-11-25-19(13-15)20-14-16(10-12-26-20)24-28-18-6-2-4-8-22(18)30-24/h1-14H
InChIKeyBGNOOHQGDWZHDJ-UHFFFAOYSA-N
MW422.54 g/mol
LogP6.70
Rot. Bonds3

About 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole

2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole (PubChem CID 102253466) has the molecular formula C24H14N4S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole
PubChem CID102253466
Molecular FormulaC24H14N4S2
Molecular Weight422.54 g/mol
Exact Mass422.07
IUPAC Name2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
InChIInChI=1S/C24H14N4S2/c1-3-7-21-17(5-1)27-23(29-21)15-9-11-25-19(13-15)20-14-16(10-12-26-20)24-28-18-6-2-4-8-22(18)30-24/h1-14H
InChIKeyBGNOOHQGDWZHDJ-UHFFFAOYSA-N
XLogP6.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole with MolForge

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Related Compounds

2-(2-Pyridinyl)benzothiazole
CID 12856
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-2-yl)thiazole
CID 11546121
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
2-(3-Pyridyl)benzothiazole
CID 235922
2-(Pyridin-2-ylsulfanylmethyl)-1,3-benzothiazole
CID 2417513
(2E)-2-benzothiazol-2-yl-3-(2-pyridyl)prop-2-enenitrile
CID 5730061
(R)-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)benzo[d]thiazole
CID 11603194
N-(1,3-Benzothiazol-2-ylmethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 46888705
2-[4-[4-(Pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-1,3-benzothiazole
CID 71292342

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole (CID 102253466) is 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole is c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1.
What is the InChIKey of 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole?
The InChIKey is BGNOOHQGDWZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4S2/c1-3-7-21-17(5-1)27-23(29-21)15-9-11-25-19(13-15)20-14-16(10-12-26-20)24-28-18-6-2-4-8-22(18)30-24/h1-14H.
What are the key properties of 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole?
2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole has a molecular weight of 422.54 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 102253466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).