1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile

C17H11N3OS — CID 2321239

IUPAC1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile
SMILESCc1cc2c(C#N)c3sc4ccccc4n3c(=O)c2c(C)n1
InChIInChI=1S/C17H11N3OS/c1-9-7-11-12(8-18)17-20(16(21)15(11)10(2)19-9)13-5-3-4-6-14(13)22-17/h3-7H,1-2H3
InChIKeyANIWDQUDRSHZPB-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.55
Rot. Bonds

About 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile

1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile (PubChem CID 2321239) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile
PubChem CID2321239
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile
SMILESCc1cc2c(C#N)c3sc4ccccc4n3c(=O)c2c(C)n1
InChIInChI=1S/C17H11N3OS/c1-9-7-11-12(8-18)17-20(16(21)15(11)10(2)19-9)13-5-3-4-6-14(13)22-17/h3-7H,1-2H3
InChIKeyANIWDQUDRSHZPB-UHFFFAOYSA-N
XLogP3.55
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile (CID 2321239) is 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile is Cc1cc2c(C#N)c3sc4ccccc4n3c(=O)c2c(C)n1.
What is the InChIKey of 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile?
The InChIKey is ANIWDQUDRSHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c1-9-7-11-12(8-18)17-20(16(21)15(11)10(2)19-9)13-5-3-4-6-14(13)22-17/h3-7H,1-2H3.
What are the key properties of 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile?
1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile has a molecular weight of 305.36 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-12-oxo-[1,3]benzothiazolo[3,2-b][2,7]naphthyridine-5-carbonitrile is sourced from PubChem (CID 2321239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).