N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide

C84H92N12O4S4 — CID 159167005

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
SMILESCc1ccc2sc(N(Cc3ccccn3)C(=O)C3CCCCC3)nc2c1C.Cc1ccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc2c1C.Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCC3)nc12.Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12
InChIInChI=1S/2C22H25N3OS.C21H23N3OS.C19H19N3OS/c1-15-10-11-19-20(16(15)2)24-22(27-19)25(14-17-7-6-12-23-13-17)21(26)18-8-4-3-5-9-18;1-15-11-12-19-20(16(15)2)24-22(27-19)25(14-18-10-6-7-13-23-18)21(26)17-8-4-3-5-9-17;1-15-7-5-11-18-19(15)23-21(26-18)24(14-16-8-6-12-22-13-16)20(25)17-9-3-2-4-10-17;1-13-5-2-9-16-17(13)21-19(24-16)22(18(23)15-7-3-8-15)12-14-6-4-10-20-11-14/h6-7,10-13,18H,3-5,8-9,14H2,1-2H3;6-7,10-13,17H,3-5,8-9,14H2,1-2H3;5-8,11-13,17H,2-4,9-10,14H2,1H3;2,4-6,9-11,15H,3,7-8,12H2,1H3
InChIKeyKLESZTOUOITUKI-UHFFFAOYSA-N
MW1462.01 g/mol
LogP20.29
Rot. Bonds16

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide (PubChem CID 159167005) has the molecular formula C84H92N12O4S4 and a molecular weight of 1462.01 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
PubChem CID159167005
Molecular FormulaC84H92N12O4S4
Molecular Weight1462.01 g/mol
Exact Mass1460.62
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
SMILESCc1ccc2sc(N(Cc3ccccn3)C(=O)C3CCCCC3)nc2c1C.Cc1ccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc2c1C.Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCC3)nc12.Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12
InChIInChI=1S/2C22H25N3OS.C21H23N3OS.C19H19N3OS/c1-15-10-11-19-20(16(15)2)24-22(27-19)25(14-17-7-6-12-23-13-17)21(26)18-8-4-3-5-9-18;1-15-11-12-19-20(16(15)2)24-22(27-19)25(14-18-10-6-7-13-23-18)21(26)17-8-4-3-5-9-17;1-15-7-5-11-18-19(15)23-21(26-18)24(14-16-8-6-12-22-13-16)20(25)17-9-3-2-4-10-17;1-13-5-2-9-16-17(13)21-19(24-16)22(18(23)15-7-3-8-15)12-14-6-4-10-20-11-14/h6-7,10-13,18H,3-5,8-9,14H2,1-2H3;6-7,10-13,17H,3-5,8-9,14H2,1-2H3;5-8,11-13,17H,2-4,9-10,14H2,1H3;2,4-6,9-11,15H,3,7-8,12H2,1H3
InChIKeyKLESZTOUOITUKI-UHFFFAOYSA-N
XLogP20.29
TPSA184.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.01
LogP ≤ 520.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide with MolForge

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Related Compounds

N-(4,5-dimethylbenzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 18582226
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]cyclohexanecarboxamide
CID 40481897
2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide
CID 90954788
3-(1-Methylindol-6-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 157332111
bis(6-(6-methyl-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazole);1-[2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]piperidin-2-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-3a,6,7,7a-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-5-pyridin-3-yl-1,3-benzothiazole;2-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-pyridin-3-yl-1,3-benzothiazole;6-[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine
CID 158102230
1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 164963894
1-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;bis(2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone)
CID 165096952
1-[2-[6-[3-[1-[5-[5-(1-Amino-3-methyliminoprop-1-en-2-yl)-1,3-benzothiazol-2-yl]-2-pyridinyl]pyrrolidin-3-yl]pyrrolidin-1-yl]-3-pyridinyl]-1,3-benzothiazol-6-yl]-4-methylpiperazin-2-one
CID 173987819
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 40519440
N-(4,5-dimethylbenzo[d]thiazol-2-yl)-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
CID 40995823
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,2-diphenyl-N-(pyridin-2-ylmethyl)acetamide
CID 41117433
N-(4,5-dimethylbenzo[d]thiazol-2-yl)-2-(4-(methylthio)phenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 41126530

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide (CID 159167005) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide is Cc1ccc2sc(N(Cc3ccccn3)C(=O)C3CCCCC3)nc2c1C.Cc1ccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc2c1C.Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCC3)nc12.Cc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide?
The InChIKey is KLESZTOUOITUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25N3OS.C21H23N3OS.C19H19N3OS/c1-15-10-11-19-20(16(15)2)24-22(27-19)25(14-17-7-6-12-23-13-17)21(26)18-8-4-3-5-9-18;1-15-11-12-19-20(16(15)2)24-22(27-19)25(14-18-10-6-7-13-23-18)21(26)17-8-4-3-5-9-17;1-15-7-5-11-18-19(15)23-21(26-18)24(14-16-8-6-12-22-13-16)20(25)17-9-3-2-4-10-17;1-13-5-2-9-16-17(13)21-19(24-16)22(18(23)15-7-3-8-15)12-14-6-4-10-20-11-14/h6-7,10-13,18H,3-5,8-9,14H2,1-2H3;6-7,10-13,17H,3-5,8-9,14H2,1-2H3;5-8,11-13,17H,2-4,9-10,14H2,1H3;2,4-6,9-11,15H,3,7-8,12H2,1H3.
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide has a molecular weight of 1462.01 g/mol, XLogP of 20.29, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide;N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide;N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 159167005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).