N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride

C18H24ClN3O2S — CID 164875212

IUPACN-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCC1)c1ccc2nc(C3CCNCC3O)sc2c1
InChIInChI=1S/C18H23N3O2S.ClH/c22-15-10-19-8-7-13(15)18-21-14-6-5-11(9-16(14)24-18)17(23)20-12-3-1-2-4-12;/h5-6,9,12-13,15,19,22H,1-4,7-8,10H2,(H,20,23);1H
InChIKeyNXUJWNLSEIDYNN-UHFFFAOYSA-N
MW381.93 g/mol
LogP2.83
Rot. Bonds3

About N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride

N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride (PubChem CID 164875212) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride
PubChem CID164875212
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCC1)c1ccc2nc(C3CCNCC3O)sc2c1
InChIInChI=1S/C18H23N3O2S.ClH/c22-15-10-19-8-7-13(15)18-21-14-6-5-11(9-16(14)24-18)17(23)20-12-3-1-2-4-12;/h5-6,9,12-13,15,19,22H,1-4,7-8,10H2,(H,20,23);1H
InChIKeyNXUJWNLSEIDYNN-UHFFFAOYSA-N
XLogP2.83
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[(4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875002
N-(3,3-difluorocyclobutyl)-2-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 164875123
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
2-benzamido-N-cyclohexyl-1,3-benzothiazole-6-carboxamide
CID 4159999
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyrrolidin-3-yl-1,3-benzothiazole-6-carboxamide
CID 164875095
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide
CID 100786731
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-cyclopentyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-benzothiazole-5-carboxamide
CID 164874882
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride?
The IUPAC name of N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride (CID 164875212) is N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride is Cl.O=C(NC1CCCC1)c1ccc2nc(C3CCNCC3O)sc2c1.
What is the InChIKey of N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride?
The InChIKey is NXUJWNLSEIDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c22-15-10-19-8-7-13(15)18-21-14-6-5-11(9-16(14)24-18)17(23)20-12-3-1-2-4-12;/h5-6,9,12-13,15,19,22H,1-4,7-8,10H2,(H,20,23);1H.
What are the key properties of N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride?
N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-hydroxypiperidin-4-yl)-1,3-benzothiazole-6-carboxamide;hydrochloride is sourced from PubChem (CID 164875212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).