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

C24H18N4O2S — CID 59326997

IUPACN-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
SMILESCOc1cnccc1-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C24H18N4O2S/c1-29-21-15-25-14-12-18(21)19-5-4-13-26-23(19)30-17-10-8-16(9-11-17)27-24-28-20-6-2-3-7-22(20)31-24/h2-15H,1H3,(H,27,28)
InChIKeyHWNDQGJOSDUASO-UHFFFAOYSA-N
MW426.50 g/mol
LogP6.30
Rot. Bonds6

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

N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine (PubChem CID 59326997) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
PubChem CID59326997
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
SMILESCOc1cnccc1-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C24H18N4O2S/c1-29-21-15-25-14-12-18(21)19-5-4-13-26-23(19)30-17-10-8-16(9-11-17)27-24-28-20-6-2-3-7-22(20)31-24/h2-15H,1H3,(H,27,28)
InChIKeyHWNDQGJOSDUASO-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

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

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Related Compounds

N-[6-(5,6-Dimethoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 73659200
4-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7086337
n-(4-{[6-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]oxy}-1,3-benzothiazol-2-yl)acetamide
CID 11754004
1-{5-[2-(Morpholin-4-Yl)ethoxy]-6-(Pyridin-3-Yl)[1,3]thiazolo[5,4-B]pyridin-2-Yl}-3-Prop-2-En-1-Ylurea
CID 59352802
[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 46209386
US10251893, Cpd 6
CID 46926811
N-(4-(3-morpholinopyridin-2-yloxy)phenyl)benzo[d]thiazol-2-amine
CID 59327176
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
N-(3-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)-1,3-thiazol-2-amine
CID 10216834
1-Ethyl-3-[6-(3-methoxy-4-pyridinyl)-1,3-benzothiazol-2-yl]urea
CID 71655668
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71462648

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine (CID 59326997) is N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine is COc1cnccc1-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is HWNDQGJOSDUASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-29-21-15-25-14-12-18(21)19-5-4-13-26-23(19)30-17-10-8-16(9-11-17)27-24-28-20-6-2-3-7-22(20)31-24/h2-15H,1H3,(H,27,28).
What are the key properties of N-[4-[[3-(3-methoxy-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
N-[4-[[3-(3-methoxy-4-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-4-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59326997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).