N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine

C46H50N6O4S2 — CID 159952423

IUPACN-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
SMILESC1=C(c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)CCOC1.C1=CC(c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)CCO1
InChIInChI=1S/2C23H25N3O2S/c2*1-2-6-21-20(5-1)26-23(29-21)25-17-7-9-18(10-8-17)28-22-19(4-3-13-24-22)16-11-14-27-15-12-16/h1-6,11,13,17-18H,7-10,12,14-15H2,(H,25,26);1-6,11,13-14,16-18H,7-10,12,15H2,(H,25,26)
InChIKeyOCHCSTOSVATOIN-UHFFFAOYSA-N
MW815.08 g/mol
LogP10.81
Rot. Bonds10

About N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine

N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine (PubChem CID 159952423) has the molecular formula C46H50N6O4S2 and a molecular weight of 815.08 g/mol. Its IUPAC name is N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
PubChem CID159952423
Molecular FormulaC46H50N6O4S2
Molecular Weight815.08 g/mol
Exact Mass814.33
IUPAC NameN-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
SMILESC1=C(c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)CCOC1.C1=CC(c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)CCO1
InChIInChI=1S/2C23H25N3O2S/c2*1-2-6-21-20(5-1)26-23(29-21)25-17-7-9-18(10-8-17)28-22-19(4-3-13-24-22)16-11-14-27-15-12-16/h1-6,11,13,17-18H,7-10,12,14-15H2,(H,25,26);1-6,11,13-14,16-18H,7-10,12,15H2,(H,25,26)
InChIKeyOCHCSTOSVATOIN-UHFFFAOYSA-N
XLogP10.81
TPSA112.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.08
LogP ≤ 510.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-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-[4-[[3-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine
CID 58548590
N-[3-[(3-cyclohexyl-2-pyridinyl)oxy]cyclobutyl]-1,3-benzothiazol-2-amine
CID 58548636
2-(azetidin-3-yloxy)-3-(3,6-dihydro-2H-pyran-4-yl)pyridine
CID 58547700
2-[[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-6-fluoro-2-pyridinyl]oxy]cyclobutyl]methyl]-1,3-benzothiazole
CID 58548673
2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
CID 146622130
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 167960032
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-[3-[3-(3-fluoro-4-methylphenyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
CID 54759359
4-[2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]cyclohexan-1-one
CID 59326966
N-[(3R,4S)-3-methoxyoxan-4-yl]-1,3-benzothiazol-2-amine
CID 131926651
acetyl acetate;1-[4-[3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]oxypyrazin-2-yl]piperazin-1-yl]ethanone;N-[3-(3-chloropyrazin-2-yl)oxycyclobutyl]-1,3-benzothiazol-2-amine;N-[3-(3-piperidin-1-ylpyrazin-2-yl)oxycyclobutyl]-1,3-benzothiazol-2-amine
CID 160752440

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine (CID 159952423) is N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine is C1=C(c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)CCOC1.C1=CC(c2cccnc2OC2CCC(Nc3nc4ccccc4s3)CC2)CCO1.
What is the InChIKey of N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine?
The InChIKey is OCHCSTOSVATOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N3O2S/c2*1-2-6-21-20(5-1)26-23(29-21)25-17-7-9-18(10-8-17)28-22-19(4-3-13-24-22)16-11-14-27-15-12-16/h1-6,11,13,17-18H,7-10,12,14-15H2,(H,25,26);1-6,11,13-14,16-18H,7-10,12,15H2,(H,25,26).
What are the key properties of N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine?
N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine has a molecular weight of 815.08 g/mol, XLogP of 10.81, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3,4-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine;N-[4-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]cyclohexyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 159952423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).