N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C20H22N4O2S — CID 39550059

IUPACN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H22N4O2S/c1-14(19-22-16-5-3-4-6-17(16)27-19)23(2)20(25)15-7-8-18(21-13-15)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyCXRJGXOJKKOMED-AWEZNQCLSA-N
MW382.49 g/mol
LogP3.36
Rot. Bonds4

About N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 39550059) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID39550059
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESC[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H22N4O2S/c1-14(19-22-16-5-3-4-6-17(16)27-19)23(2)20(25)15-7-8-18(21-13-15)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3/t14-/m0/s1
InChIKeyCXRJGXOJKKOMED-AWEZNQCLSA-N
XLogP3.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 39550058
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 30019585
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-N-methylpyridine-3-carboxamide
CID 9406160
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylnaphthalene-2-carboxamide
CID 8820294
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,4-dichloro-N-methylbenzamide
CID 8820373
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46452312
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-1-morpholin-4-ylethanone
CID 9047276
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 17441541
N-(4-hydroxyphenyl)-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570914
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-cyclopropyl-N-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 46452130
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 39965479
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 46452295

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 39550059) is N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide is C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is CXRJGXOJKKOMED-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14(19-22-16-5-3-4-6-17(16)27-19)23(2)20(25)15-7-8-18(21-13-15)24-9-11-26-12-10-24/h3-8,13-14H,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 39550059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).