4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide

C22H26N4OS2 — CID 25012507

IUPAC4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
SMILESO=C(NN1CCCCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ncsc1S2
InChIInChI=1S/C22H26N4OS2/c27-21(25-26-11-5-2-6-12-26)16-9-10-18-17(13-16)24-19(15-7-3-1-4-8-15)20-22(29-18)28-14-23-20/h9-10,13-15H,1-8,11-12H2,(H,25,27)
InChIKeyYZWFFCZQNIZFAL-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.44
Rot. Bonds3

About 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide

4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide (PubChem CID 25012507) has the molecular formula C22H26N4OS2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
PubChem CID25012507
Molecular FormulaC22H26N4OS2
Molecular Weight426.61 g/mol
Exact Mass426.15
IUPAC Name4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide
SMILESO=C(NN1CCCCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ncsc1S2
InChIInChI=1S/C22H26N4OS2/c27-21(25-26-11-5-2-6-12-26)16-9-10-18-17(13-16)24-19(15-7-3-1-4-8-15)20-22(29-18)28-14-23-20/h9-10,13-15H,1-8,11-12H2,(H,25,27)
InChIKeyYZWFFCZQNIZFAL-UHFFFAOYSA-N
XLogP5.44
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-diamino-N-(azepan-1-yl)-4-pyridin-3-yl-1,5-benzothiazepine-7-carboxamide
CID 143659268
N-(azepan-1-yl)-6-(3-hydroxyphenyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 145482707
N-(azepan-1-yl)-6-piperidin-1-ylpyrido[2,3-b][1,4]benzothiazepine-3-carboxamide
CID 25012189
6-(3,4-dichlorophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide;ethane
CID 145482576
N-(azepan-1-yl)-6-(3-fluorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 58872140
6-(3-bromophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 58871970
N-[(2-chlorophenyl)methyl]-6-cyclohexylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 58872215
N-(azepan-1-yl)-4-(3-methylphenyl)-3H-imidazo[4,5-b][1,5]benzothiazepine-7-carboxamide;molecular hydrogen
CID 143659239
6-(3-fluorophenyl)-N-pyrrolidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 58872430
6-(3-chloro-4-fluorophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide;6-(3,4-difluorophenyl)-N-piperidin-1-ylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 162161288
N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503
3-hydroxy-4-methyl-N-piperidin-1-ylbenzamide
CID 115279771

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide?
The IUPAC name of 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide (CID 25012507) is 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide is O=C(NN1CCCCC1)c1ccc2c(c1)N=C(C1CCCCC1)c1ncsc1S2.
What is the InChIKey of 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide?
The InChIKey is YZWFFCZQNIZFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS2/c27-21(25-26-11-5-2-6-12-26)16-9-10-18-17(13-16)24-19(15-7-3-1-4-8-15)20-22(29-18)28-14-23-20/h9-10,13-15H,1-8,11-12H2,(H,25,27).
What are the key properties of 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide?
4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-piperidin-1-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine-7-carboxamide is sourced from PubChem (CID 25012507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).