N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

C20H25N3O2S — CID 1160385

IUPACN-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1)C1CCCCC1
InChIInChI=1S/C20H25N3O2S/c24-18(14-7-3-1-4-8-14)22-20-21-16-10-9-15(13-17(16)26-20)19(25)23-11-5-2-6-12-23/h9-10,13-14H,1-8,11-12H2,(H,21,22,24)
InChIKeyUCSDZRQWTKEKAG-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.44
Rot. Bonds3

About N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (PubChem CID 1160385) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
PubChem CID1160385
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1)C1CCCCC1
InChIInChI=1S/C20H25N3O2S/c24-18(14-7-3-1-4-8-14)22-20-21-16-10-9-15(13-17(16)26-20)19(25)23-11-5-2-6-12-23/h9-10,13-14H,1-8,11-12H2,(H,21,22,24)
InChIKeyUCSDZRQWTKEKAG-UHFFFAOYSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
Iwp-2
CID 2155128
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032589
6-N-(2-chloro-6-methylphenyl)-2-N-cyclopropane-1,3-benzothiazole-2,6-dicarboxamide
CID 17960401
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496

Frequently Asked Questions

What is the IUPAC name of N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide (CID 1160385) is N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1)C1CCCCC1.
What is the InChIKey of N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is UCSDZRQWTKEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-18(14-7-3-1-4-8-14)22-20-21-16-10-9-15(13-17(16)26-20)19(25)23-11-5-2-6-12-23/h9-10,13-14H,1-8,11-12H2,(H,21,22,24).
What are the key properties of N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide?
N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 1160385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).