N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide

C15H19N3OS — CID 119558095

IUPACN-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCC1CCCNC1)c1ccc2ncsc2c1
InChIInChI=1S/C15H19N3OS/c19-15(17-7-5-11-2-1-6-16-9-11)12-3-4-13-14(8-12)20-10-18-13/h3-4,8,10-11,16H,1-2,5-7,9H2,(H,17,19)
InChIKeyJDUMQBBOVSJPSI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.42
Rot. Bonds4

About N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide

N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 119558095) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID119558095
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCC1CCCNC1)c1ccc2ncsc2c1
InChIInChI=1S/C15H19N3OS/c19-15(17-7-5-11-2-1-6-16-9-11)12-3-4-13-14(8-12)20-10-18-13/h3-4,8,10-11,16H,1-2,5-7,9H2,(H,17,19)
InChIKeyJDUMQBBOVSJPSI-UHFFFAOYSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
2-oxo-N-(2-piperidin-3-ylethyl)-1H-pyridine-4-carboxamide
CID 103806761
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide (CID 119558095) is N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide is O=C(NCCC1CCCNC1)c1ccc2ncsc2c1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is JDUMQBBOVSJPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15(17-7-5-11-2-1-6-16-9-11)12-3-4-13-14(8-12)20-10-18-13/h3-4,8,10-11,16H,1-2,5-7,9H2,(H,17,19).
What are the key properties of N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide?
N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 119558095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).