N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide

C19H25N3OS — CID 70694815

IUPACN-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1N1CCCCC1)c1ccc2ncsc2c1
InChIInChI=1S/C19H25N3OS/c23-19(14-8-9-16-18(12-14)24-13-20-16)21-15-6-2-3-7-17(15)22-10-4-1-5-11-22/h8-9,12-13,15,17H,1-7,10-11H2,(H,21,23)/t15-,17-/m1/s1
InChIKeyVKCLDSUKOZJQFC-NVXWUHKLSA-N
MW343.50 g/mol
LogP3.82
Rot. Bonds3

About N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide

N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 70694815) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
PubChem CID70694815
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1N1CCCCC1)c1ccc2ncsc2c1
InChIInChI=1S/C19H25N3OS/c23-19(14-8-9-16-18(12-14)24-13-20-16)21-15-6-2-3-7-17(15)22-10-4-1-5-11-22/h8-9,12-13,15,17H,1-7,10-11H2,(H,21,23)/t15-,17-/m1/s1
InChIKeyVKCLDSUKOZJQFC-NVXWUHKLSA-N
XLogP3.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
CID 64813484
N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
CID 103774075
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
CID 110128202
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
CID 47036307
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide (CID 70694815) is N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide is O=C(N[C@@H]1CCCC[C@H]1N1CCCCC1)c1ccc2ncsc2c1.
What is the InChIKey of N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is VKCLDSUKOZJQFC-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H25N3OS/c23-19(14-8-9-16-18(12-14)24-13-20-16)21-15-6-2-3-7-17(15)22-10-4-1-5-11-22/h8-9,12-13,15,17H,1-7,10-11H2,(H,21,23)/t15-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide?
N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 70694815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).