2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole

C20H16N2OS — CID 139801734

IUPAC2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
SMILESCc1cccc(-c2ccc(OCc3nc4ccccc4s3)cc2)n1
InChIInChI=1S/C20H16N2OS/c1-14-5-4-7-17(21-14)15-9-11-16(12-10-15)23-13-20-22-18-6-2-3-8-19(18)24-20/h2-12H,13H2,1H3
InChIKeyLPPNQFDOWBSMEY-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.25
Rot. Bonds4

About 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole

2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole (PubChem CID 139801734) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
PubChem CID139801734
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
SMILESCc1cccc(-c2ccc(OCc3nc4ccccc4s3)cc2)n1
InChIInChI=1S/C20H16N2OS/c1-14-5-4-7-17(21-14)15-9-11-16(12-10-15)23-13-20-22-18-6-2-3-8-19(18)24-20/h2-12H,13H2,1H3
InChIKeyLPPNQFDOWBSMEY-UHFFFAOYSA-N
XLogP5.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(1,3-thiazol-4-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801893
2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954
2-[[4-(5-methoxy-4-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801855
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
CID 113218110
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
CID 139801727
2-[4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]phenyl]propanoic acid
CID 18956577
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
2-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 139801721
2-[[4-(3,5-diphenylpyrazol-1-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801756

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole?
The IUPAC name of 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole (CID 139801734) is 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole is Cc1cccc(-c2ccc(OCc3nc4ccccc4s3)cc2)n1.
What is the InChIKey of 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole?
The InChIKey is LPPNQFDOWBSMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-14-5-4-7-17(21-14)15-9-11-16(12-10-15)23-13-20-22-18-6-2-3-8-19(18)24-20/h2-12H,13H2,1H3.
What are the key properties of 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole?
2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole has a molecular weight of 332.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole is sourced from PubChem (CID 139801734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).