N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide

C20H27N3OS — CID 164875002

IUPACN-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide
SMILESCC1CN(C)CC[C@H]1c1nc2ccc(C(=O)NC3CCCC3)cc2s1
InChIInChI=1S/C20H27N3OS/c1-13-12-23(2)10-9-16(13)20-22-17-8-7-14(11-18(17)25-20)19(24)21-15-5-3-4-6-15/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H,21,24)/t13?,16-/m1/s1
InChIKeyWOWUYRMYOGFUFA-FQNRMIAFSA-N
MW357.52 g/mol
LogP4.02
Rot. Bonds3

About N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide

N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 164875002) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID164875002
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide
SMILESCC1CN(C)CC[C@H]1c1nc2ccc(C(=O)NC3CCCC3)cc2s1
InChIInChI=1S/C20H27N3OS/c1-13-12-23(2)10-9-16(13)20-22-17-8-7-14(11-18(17)25-20)19(24)21-15-5-3-4-6-15/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H,21,24)/t13?,16-/m1/s1
InChIKeyWOWUYRMYOGFUFA-FQNRMIAFSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride
CID 164875212
N-(3,3-difluorocyclobutyl)-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164874866
2-(3-methyloxan-4-yl)-1,3-benzothiazole-6-carboxylic acid
CID 114242125
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
CID 4159999
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 164874859
N-cyclopentyl-2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
CID 164874914
N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
CID 117081502
N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
CID 117085987
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
CID 142009418
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-[2-(2-hydroxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 175591631

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide (CID 164875002) is N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide is CC1CN(C)CC[C@H]1c1nc2ccc(C(=O)NC3CCCC3)cc2s1.
What is the InChIKey of N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is WOWUYRMYOGFUFA-FQNRMIAFSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-13-12-23(2)10-9-16(13)20-22-17-8-7-14(11-18(17)25-20)19(24)21-15-5-3-4-6-15/h7-8,11,13,15-16H,3-6,9-10,12H2,1-2H3,(H,21,24)/t13?,16-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide?
N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 164875002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).