2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole

C16H15NOS — CID 139783415

IUPAC2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
SMILESCc1nc2cc(CCOc3ccccc3)ccc2s1
InChIInChI=1S/C16H15NOS/c1-12-17-15-11-13(7-8-16(15)19-12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyYLOAYGFABMHVQD-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.23
Rot. Bonds4

About 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole

2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole (PubChem CID 139783415) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
PubChem CID139783415
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
SMILESCc1nc2cc(CCOc3ccccc3)ccc2s1
InChIInChI=1S/C16H15NOS/c1-12-17-15-11-13(7-8-16(15)19-12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyYLOAYGFABMHVQD-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1,3-benzothiazol-5-yl)propanoic acid
CID 82286525
2-methyl-5-(2-phenylethoxy)-1,3-benzothiazol-6-amine
CID 43450717
5-(chloromethyl)-2-methyl-1,3-benzothiazole
CID 2315866
4-[[4-[2-[(2-methyl-1,3-benzothiazol-5-yl)oxy]ethyl]phenyl]methyl]piperazine-1-carboxylic acid
CID 70944790
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine
CID 82500700
3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-4-(4-phenoxybutyl)picen-2-ol
CID 87929295
ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine
CID 162358300
3-(2-phenoxyethyl)quinoline
CID 54129983
3-[5-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]-2-pyridinyl]-2-oxopropanoic acid
CID 90695843
5-[2-(1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-benzothiazole
CID 98033974
2-methyl-5-[3-[4-[2-(4-phenyl-1H-pyrazol-5-yl)ethyl]piperazin-1-yl]propoxy]-1,3-benzothiazole
CID 91368307

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole (CID 139783415) is 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole is Cc1nc2cc(CCOc3ccccc3)ccc2s1.
What is the InChIKey of 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole?
The InChIKey is YLOAYGFABMHVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-12-17-15-11-13(7-8-16(15)19-12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole?
2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole has a molecular weight of 269.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole is sourced from PubChem (CID 139783415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).