N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine

C24H18N4OS — CID 59326972

IUPACN-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)cn1
InChIInChI=1S/C24H18N4OS/c1-16-8-9-17(15-26-16)20-5-4-14-25-23(20)29-19-12-10-18(11-13-19)27-24-28-21-6-2-3-7-22(21)30-24/h2-15H,1H3,(H,27,28)
InChIKeyJRUSNWSHZKTZAE-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.60
Rot. Bonds5

About N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine

N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine (PubChem CID 59326972) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
PubChem CID59326972
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC NameN-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)cn1
InChIInChI=1S/C24H18N4OS/c1-16-8-9-17(15-26-16)20-5-4-14-25-23(20)29-19-12-10-18(11-13-19)27-24-28-21-6-2-3-7-22(21)30-24/h2-15H,1H3,(H,27,28)
InChIKeyJRUSNWSHZKTZAE-UHFFFAOYSA-N
XLogP6.60
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)-2-benzothiazolamine
CID 91769
[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-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
1-Ethyl-3-[6-(3-methoxy-4-pyridinyl)-1,3-benzothiazol-2-yl]urea
CID 71655668
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
N-(4-(2-(pyridin-3-ylmethylamino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide
CID 11570110
5-Methylsulfanyl-4-{2-[4-(5-trifluoromethyl-pyridin-2-yloxy)-phenylamino]-thiazol-4-yl}-thiophene-2-carboxamidine
CID 18536939
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)benzo[d]thiazol-2-amine
CID 24983255

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine (CID 59326972) is N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine is Cc1ccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)cn1.
What is the InChIKey of N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is JRUSNWSHZKTZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-16-8-9-17(15-26-16)20-5-4-14-25-23(20)29-19-12-10-18(11-13-19)27-24-28-21-6-2-3-7-22(21)30-24/h2-15H,1H3,(H,27,28).
What are the key properties of N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine?
N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 410.50 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 59326972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).