6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide

C19H21N5OS — CID 135101927

IUPAC6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN(c3nsc4ccccc34)CC2)nc1
InChIInChI=1S/C19H21N5OS/c1-2-20-19(25)14-7-8-17(21-13-14)23-9-11-24(12-10-23)18-15-5-3-4-6-16(15)26-22-18/h3-8,13H,2,9-12H2,1H3,(H,20,25)
InChIKeyXDGBCGOEAYFPAD-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.77
Rot. Bonds4

About 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide

6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide (PubChem CID 135101927) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
PubChem CID135101927
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN(c3nsc4ccccc34)CC2)nc1
InChIInChI=1S/C19H21N5OS/c1-2-20-19(25)14-7-8-17(21-13-14)23-9-11-24(12-10-23)18-15-5-3-4-6-16(15)26-22-18/h3-8,13H,2,9-12H2,1H3,(H,20,25)
InChIKeyXDGBCGOEAYFPAD-UHFFFAOYSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
4-acetamido-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide;hydrochloride
CID 45259400
6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 25065476
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-4-carboxamide
CID 10620723
N-ethyl-6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135119211
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 72865234
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
methyl 2-[[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carbonyl]amino]acetate
CID 25065892

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide (CID 135101927) is 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCN(c3nsc4ccccc34)CC2)nc1.
What is the InChIKey of 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide?
The InChIKey is XDGBCGOEAYFPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-2-20-19(25)14-7-8-17(21-13-14)23-9-11-24(12-10-23)18-15-5-3-4-6-16(15)26-22-18/h3-8,13H,2,9-12H2,1H3,(H,20,25).
What are the key properties of 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide?
6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 135101927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).