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

C14H11N3O2S — CID 746693

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1
InChIInChI=1S/C14H11N3O2S/c1-19-10-4-5-11-12(7-10)20-14(16-11)17-13(18)9-3-2-6-15-8-9/h2-8H,1H3,(H,16,17,18)
InChIKeyRCFIAUNRSNNZEN-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.95
Rot. Bonds3

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

N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 746693) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID746693
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccnc3)sc2c1
InChIInChI=1S/C14H11N3O2S/c1-19-10-4-5-11-12(7-10)20-14(16-11)17-13(18)9-3-2-6-15-8-9/h2-8H,1H3,(H,16,17,18)
InChIKeyRCFIAUNRSNNZEN-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

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
US10251893, Cpd 6
CID 46926811
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71460938
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)isonicotinamide
CID 56592910
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 746693) is N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is COc1ccc2nc(NC(=O)c3cccnc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is RCFIAUNRSNNZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-10-4-5-11-12(7-10)20-14(16-11)17-13(18)9-3-2-6-15-8-9/h2-8H,1H3,(H,16,17,18).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-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-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 746693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).