N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine

C24H18N4O2S — CID 59327237

IUPACN-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
SMILESCOc1cccnc1-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C24H18N4O2S/c1-29-20-8-5-14-25-22(20)18-6-4-15-26-23(18)30-17-12-10-16(11-13-17)27-24-28-19-7-2-3-9-21(19)31-24/h2-15H,1H3,(H,27,28)
InChIKeyPYSGFNJGAUFUEC-UHFFFAOYSA-N
MW426.50 g/mol
LogP6.30
Rot. Bonds6

About N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine

N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine (PubChem CID 59327237) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
PubChem CID59327237
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
SMILESCOc1cccnc1-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C24H18N4O2S/c1-29-20-8-5-14-25-22(20)18-6-4-15-26-23(18)30-17-12-10-16(11-13-17)27-24-28-19-7-2-3-9-21(19)31-24/h2-15H,1H3,(H,27,28)
InChIKeyPYSGFNJGAUFUEC-UHFFFAOYSA-N
XLogP6.30
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(5,6-Dimethoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 73659200
N-{4-[(6-{4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
CID 11179647
n-(4-{[6-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]oxy}-1,3-benzothiazol-2-yl)acetamide
CID 11754004
N-{4-[(6-{4-[(1S)-1-phenylethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
CID 16748582
[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 46209386
N-(4-(3-morpholinopyridin-2-yloxy)phenyl)benzo[d]thiazol-2-amine
CID 59327176
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
N-{4-[(6-{4-[(1S)-1-phenylpropyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
CID 16748583
N-[4-({6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
CID 16748692
N-[4-({6-[4-(2-phenylpropan-2-yl)piperazin-1-yl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
CID 16748693
N-(3-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)-1,3-thiazol-2-amine
CID 10216834
N-(4-(6-(2-(1-(pyridin-2-yl)ethylamino)-4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
CID 44580423

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine (CID 59327237) is N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine is COc1cccnc1-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is PYSGFNJGAUFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-29-20-8-5-14-25-22(20)18-6-4-15-26-23(18)30-17-12-10-16(11-13-17)27-24-28-19-7-2-3-9-21(19)31-24/h2-15H,1H3,(H,27,28).
What are the key properties of N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 426.50 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-methoxy-2-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59327237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).