N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide

C20H13N3O3S — CID 18891591

IUPACN-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C#N)c2sc3ccccc3n2c1=O
InChIInChI=1S/C20H13N3O3S/c1-26-16-8-4-2-6-13(16)18(24)22-14-10-12(11-21)20-23(19(14)25)15-7-3-5-9-17(15)27-20/h2-10H,1H3,(H,22,24)
InChIKeyRFDKAXZDRLAWFU-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.65
Rot. Bonds3

About N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide

N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 18891591) has the molecular formula C20H13N3O3S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID18891591
Molecular FormulaC20H13N3O3S
Molecular Weight375.41 g/mol
Exact Mass375.07
IUPAC NameN-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C#N)c2sc3ccccc3n2c1=O
InChIInChI=1S/C20H13N3O3S/c1-26-16-8-4-2-6-13(16)18(24)22-14-10-12(11-21)20-23(19(14)25)15-7-3-5-9-17(15)27-20/h2-10H,1H3,(H,22,24)
InChIKeyRFDKAXZDRLAWFU-UHFFFAOYSA-N
XLogP3.65
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide (CID 18891591) is N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(C#N)c2sc3ccccc3n2c1=O.
What is the InChIKey of N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is RFDKAXZDRLAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3S/c1-26-16-8-4-2-6-13(16)18(24)22-14-10-12(11-21)20-23(19(14)25)15-7-3-5-9-17(15)27-20/h2-10H,1H3,(H,22,24).
What are the key properties of N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide?
N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 375.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-oxopyrido[2,1-b][1,3]benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 18891591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).