N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C19H19ClN4OS — CID 39703925

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H19ClN4OS/c20-14-5-6-17(21-11-14)24-9-7-13(8-10-24)19(25)22-12-18-23-15-3-1-2-4-16(15)26-18/h1-6,11,13H,7-10,12H2,(H,22,25)
InChIKeyTWRRUPCPDAERIO-UHFFFAOYSA-N
MW386.91 g/mol
LogP3.88
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 39703925) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID39703925
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H19ClN4OS/c20-14-5-6-17(21-11-14)24-9-7-13(8-10-24)19(25)22-12-18-23-15-3-1-2-4-16(15)26-18/h1-6,11,13H,7-10,12H2,(H,22,25)
InChIKeyTWRRUPCPDAERIO-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
tert-butyl 4-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 38284389
1-(5-chloro-2-pyridinyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39476204
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55812910
2-[3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1,3-benzothiazole
CID 164937985
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 90609314
1-(5-chloro-2-pyridinyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38975761
1-N-(1,3-benzothiazol-2-ylmethyl)-4-N-phenylpiperidine-1,4-dicarboxamide
CID 36900031
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 39703925) is N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is O=C(NCc1nc2ccccc2s1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is TWRRUPCPDAERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c20-14-5-6-17(21-11-14)24-9-7-13(8-10-24)19(25)22-12-18-23-15-3-1-2-4-16(15)26-18/h1-6,11,13H,7-10,12H2,(H,22,25).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 39703925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).