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

C18H18N4O2S — CID 18143037

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)nc3)sc2c1
InChIInChI=1S/C18H18N4O2S/c1-12-2-4-14-15(10-12)25-18(20-14)21-17(23)13-3-5-16(19-11-13)22-6-8-24-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,20,21,23)
InChIKeyHPUUMXGPCLGPQM-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.09
Rot. Bonds3

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

N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 18143037) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID18143037
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)nc3)sc2c1
InChIInChI=1S/C18H18N4O2S/c1-12-2-4-14-15(10-12)25-18(20-14)21-17(23)13-3-5-16(19-11-13)22-6-8-24-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,20,21,23)
InChIKeyHPUUMXGPCLGPQM-UHFFFAOYSA-N
XLogP3.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143056
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
6-morpholin-4-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18143105
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028174
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 18143037) is N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide is Cc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)nc3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is HPUUMXGPCLGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-2-4-14-15(10-12)25-18(20-14)21-17(23)13-3-5-16(19-11-13)22-6-8-24-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 18143037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).