N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide

C13H15N3OS — CID 18337213

IUPACN-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2ncsc2c1
InChIInChI=1S/C13H15N3OS/c17-13(16-10-3-5-14-6-4-10)9-1-2-11-12(7-9)18-8-15-11/h1-2,7-8,10,14H,3-6H2,(H,16,17)
InChIKeyAMHHDWCDWOLJFS-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.78
Rot. Bonds2

About N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide

N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 18337213) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID18337213
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2ncsc2c1
InChIInChI=1S/C13H15N3OS/c17-13(16-10-3-5-14-6-4-10)9-1-2-11-12(7-9)18-8-15-11/h1-2,7-8,10,14H,3-6H2,(H,16,17)
InChIKeyAMHHDWCDWOLJFS-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 9453681
N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 16548320
N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
CID 103774075
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 90634146
2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
CID 64813484
N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 119558095
N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 70694815
N-(azepan-4-yl)-1,3-benzothiazol-6-amine
CID 107803941
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide (CID 18337213) is N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide is O=C(NC1CCNCC1)c1ccc2ncsc2c1.
What is the InChIKey of N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is AMHHDWCDWOLJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-13(16-10-3-5-14-6-4-10)9-1-2-11-12(7-9)18-8-15-11/h1-2,7-8,10,14H,3-6H2,(H,16,17).
What are the key properties of N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide?
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 18337213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).