2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole

C14H14N2OS — CID 177247731

IUPAC2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole
SMILESCOC1=CNC(C)(c2nc3ccccc3s2)C=C1
InChIInChI=1S/C14H14N2OS/c1-14(8-7-10(17-2)9-15-14)13-16-11-5-3-4-6-12(11)18-13/h3-9,15H,1-2H3
InChIKeyAUDPZHNIVHDUKI-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.16
Rot. Bonds2

About 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole

2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole (PubChem CID 177247731) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole
PubChem CID177247731
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole
SMILESCOC1=CNC(C)(c2nc3ccccc3s2)C=C1
InChIInChI=1S/C14H14N2OS/c1-14(8-7-10(17-2)9-15-14)13-16-11-5-3-4-6-12(11)18-13/h3-9,15H,1-2H3
InChIKeyAUDPZHNIVHDUKI-UHFFFAOYSA-N
XLogP3.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole (CID 177247731) is 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole is COC1=CNC(C)(c2nc3ccccc3s2)C=C1.
What is the InChIKey of 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole?
The InChIKey is AUDPZHNIVHDUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-14(8-7-10(17-2)9-15-14)13-16-11-5-3-4-6-12(11)18-13/h3-9,15H,1-2H3.
What are the key properties of 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole?
2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole has a molecular weight of 258.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1H-pyridin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 177247731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).