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

C24H24N4OS — CID 58548590

IUPACN-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
SMILESCc1cc(-c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)ccn1
InChIInChI=1S/C24H24N4OS/c1-16-15-17(12-14-25-16)20-5-4-13-26-23(20)29-19-10-8-18(9-11-19)27-24-28-21-6-2-3-7-22(21)30-24/h2-7,12-15,18-19H,8-11H2,1H3,(H,27,28)
InChIKeyKCLSMKDCWUEFET-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.86
Rot. Bonds5

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

N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine (PubChem CID 58548590) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
PubChem CID58548590
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
SMILESCc1cc(-c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)ccn1
InChIInChI=1S/C24H24N4OS/c1-16-15-17(12-14-25-16)20-5-4-13-26-23(20)29-19-10-8-18(9-11-19)27-24-28-21-6-2-3-7-22(21)30-24/h2-7,12-15,18-19H,8-11H2,1H3,(H,27,28)
InChIKeyKCLSMKDCWUEFET-UHFFFAOYSA-N
XLogP5.86
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(3-(3-(1-Piperidinylmethyl)phenoxy)propyl)-2-benzothiazolamine
CID 91769
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
N-(4-(3-morpholinopyridin-2-yloxy)phenyl)benzo[d]thiazol-2-amine
CID 59327176
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71460938
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71462648
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)benzo[d]thiazol-2-amine
CID 24983255
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)thiazolo[5,4-b]pyridin-2-amine
CID 46882517
1-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]ethanol
CID 59351288
N-[4-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 59351376
1-Ethyl-3-[6-(6-fluoro-3-pyridyl)-5-(tetrahydrofuran-3-ylmethoxy)thiazolo[5,4-b]pyridin-2-yl]urea
CID 59352798

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine (CID 58548590) is N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine is Cc1cc(-c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)ccn1.
What is the InChIKey of N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine?
The InChIKey is KCLSMKDCWUEFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-16-15-17(12-14-25-16)20-5-4-13-26-23(20)29-19-10-8-18(9-11-19)27-24-28-21-6-2-3-7-22(21)30-24/h2-7,12-15,18-19H,8-11H2,1H3,(H,27,28).
What are the key properties of N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine?
N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine has a molecular weight of 416.55 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 58548590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).