1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

C21H15N5OS — CID 160631590

IUPAC1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncsc5c4)cc3n2)cn1
InChIInChI=1S/C21H15N5OS/c1-26-11-15(10-24-26)17-4-3-14-9-22-16(7-19(14)25-17)8-20(27)13-2-5-18-21(6-13)28-12-23-18/h2-7,9-12H,8H2,1H3
InChIKeyRHZJMBBWYWWBGC-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.07
Rot. Bonds4

About 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 160631590) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID160631590
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILESCn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncsc5c4)cc3n2)cn1
InChIInChI=1S/C21H15N5OS/c1-26-11-15(10-24-26)17-4-3-14-9-22-16(7-19(14)25-17)8-20(27)13-2-5-18-21(6-13)28-12-23-18/h2-7,9-12H,8H2,1H3
InChIKeyRHZJMBBWYWWBGC-UHFFFAOYSA-N
XLogP4.07
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (CID 160631590) is 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is Cn1cc(-c2ccc3cnc(CC(=O)c4ccc5ncsc5c4)cc3n2)cn1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is RHZJMBBWYWWBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c1-26-11-15(10-24-26)17-4-3-14-9-22-16(7-19(14)25-17)8-20(27)13-2-5-18-21(6-13)28-12-23-18/h2-7,9-12H,8H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 385.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 160631590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).