N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide

C14H11N3O2S — CID 17476486

IUPACN-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C14H11N3O2S/c1-19-12-7-6-9(8-15-12)13(18)17-14-16-10-4-2-3-5-11(10)20-14/h2-8H,1H3,(H,16,17,18)
InChIKeyMFOWHPDLBWPQPX-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.95
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide (PubChem CID 17476486) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
PubChem CID17476486
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C14H11N3O2S/c1-19-12-7-6-9(8-15-12)13(18)17-14-16-10-4-2-3-5-11(10)20-14/h2-8H,1H3,(H,16,17,18)
InChIKeyMFOWHPDLBWPQPX-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 46975630
N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 833754
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27649712
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 52687935

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide (CID 17476486) is N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)Nc2nc3ccccc3s2)cn1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The InChIKey is MFOWHPDLBWPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-12-7-6-9(8-15-12)13(18)17-14-16-10-4-2-3-5-11(10)20-14/h2-8H,1H3,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.95, 3 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-yl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 17476486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).