4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide

C25H31N3O2S — CID 71069277

IUPAC4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide
SMILESCN(C)CCCc1nc2ccc(NC(=O)c3ccc(OC4CCCCC4)cc3)cc2s1
InChIInChI=1S/C25H31N3O2S/c1-28(2)16-6-9-24-27-22-15-12-19(17-23(22)31-24)26-25(29)18-10-13-21(14-11-18)30-20-7-4-3-5-8-20/h10-15,17,20H,3-9,16H2,1-2H3,(H,26,29)
InChIKeyFMBYBOFXKHICHY-UHFFFAOYSA-N
MW437.61 g/mol
LogP5.75
Rot. Bonds8

About 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide

4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide (PubChem CID 71069277) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

Compound Name4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide
PubChem CID71069277
Molecular FormulaC25H31N3O2S
Molecular Weight437.61 g/mol
Exact Mass437.21
IUPAC Name4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide
SMILESCN(C)CCCc1nc2ccc(NC(=O)c3ccc(OC4CCCCC4)cc3)cc2s1
InChIInChI=1S/C25H31N3O2S/c1-28(2)16-6-9-24-27-22-15-12-19(17-23(22)31-24)26-25(29)18-10-13-21(14-11-18)30-20-7-4-3-5-8-20/h10-15,17,20H,3-9,16H2,1-2H3,(H,26,29)
InChIKeyFMBYBOFXKHICHY-UHFFFAOYSA-N
XLogP5.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.61
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride
CID 110777040
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CID 39100305
4-(2-chlorophenyl)-N-[2-[2-(dimethylamino)ethyl-methylamino]-1,3-benzothiazol-6-yl]benzamide
CID 11568907
4-cyclohexyloxy-N-[4-(methyliminomethylamino)-3-sulfanylphenyl]benzamide;N,N-dimethylmethanamine
CID 143247761
4-cyclopentyloxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 55606378
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
4-(4-fluorophenyl)-N-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 11684314
4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 50739495
4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
CID 11716861
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 135754088
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoyl)benzamide
CID 38455287

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide?
The IUPAC name of 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide (CID 71069277) is 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide.
What is the SMILES notation for 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide?
The canonical SMILES for 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide is CN(C)CCCc1nc2ccc(NC(=O)c3ccc(OC4CCCCC4)cc3)cc2s1.
What is the InChIKey of 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide?
The InChIKey is FMBYBOFXKHICHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S/c1-28(2)16-6-9-24-27-22-15-12-19(17-23(22)31-24)26-25(29)18-10-13-21(14-11-18)30-20-7-4-3-5-8-20/h10-15,17,20H,3-9,16H2,1-2H3,(H,26,29).
What are the key properties of 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide?
4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 437.61 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-[2-[3-(dimethylamino)propyl]-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 71069277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).