N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide

C27H30N4OS — CID 44524646

IUPACN-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(N2CCC(c3nc4ccccc4s3)CC2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H30N4OS/c32-26(24-17-19-5-1-2-6-22(19)29-24)28-20-9-11-21(12-10-20)31-15-13-18(14-16-31)27-30-23-7-3-4-8-25(23)33-27/h1-8,17-18,20-21,29H,9-16H2,(H,28,32)
InChIKeyCZDGBUPNSJUGPO-UHFFFAOYSA-N
MW458.63 g/mol
LogP5.70
Rot. Bonds4

About N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide

N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 44524646) has the molecular formula C27H30N4OS and a molecular weight of 458.63 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID44524646
Molecular FormulaC27H30N4OS
Molecular Weight458.63 g/mol
Exact Mass458.21
IUPAC NameN-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(N2CCC(c3nc4ccccc4s3)CC2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C27H30N4OS/c32-26(24-17-19-5-1-2-6-22(19)29-24)28-20-9-11-21(12-10-20)31-15-13-18(14-16-31)27-30-23-7-3-4-8-25(23)33-27/h1-8,17-18,20-21,29H,9-16H2,(H,28,32)
InChIKeyCZDGBUPNSJUGPO-UHFFFAOYSA-N
XLogP5.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-((1R,2S,5S)-2-(5-Chloro-1H-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 9808346
N-((1R,2S)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752832
2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl)-1,3-benzothiazole-6-carboxamide
CID 23646612
(3S,6S,8aR)-6-amino-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-6-benzyl-5-oxo-octahydroindolizine-3-carboxamide
CID 444469
N-((1R,2R)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752833
cis-1,2-Diaminocyclohexane derivative, 8l
CID 44520917
cis-1,2-Diaminocyclohexane derivative, 8o
CID 44520918
acs.jmedchem.1c00409_ST.51
CID 72708326
(3S,6R,8aR)-6-amino-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-6-benzyl-5-oxo-octahydroindolizine-3-carboxamide
CID 9894066
N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 9983685
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-1H-indole-2-carboxamide
CID 86342194
(2S)-N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 11179962

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide (CID 44524646) is N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide is O=C(NC1CCC(N2CCC(c3nc4ccccc4s3)CC2)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is CZDGBUPNSJUGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4OS/c32-26(24-17-19-5-1-2-6-22(19)29-24)28-20-9-11-21(12-10-20)31-15-13-18(14-16-31)27-30-23-7-3-4-8-25(23)33-27/h1-8,17-18,20-21,29H,9-16H2,(H,28,32).
What are the key properties of N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 458.63 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44524646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).