2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole

C16H13N5OS — CID 2140191

IUPAC2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole
SMILESCCOc1ccc(-n2nnnc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H13N5OS/c1-2-22-12-9-7-11(8-10-12)21-15(18-19-20-21)16-17-13-5-3-4-6-14(13)23-16/h3-10H,2H2,1H3
InChIKeyHIGQBYWQSGFTTR-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.34
Rot. Bonds4

About 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole

2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole (PubChem CID 2140191) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole
PubChem CID2140191
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole
SMILESCCOc1ccc(-n2nnnc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H13N5OS/c1-2-22-12-9-7-11(8-10-12)21-15(18-19-20-21)16-17-13-5-3-4-6-14(13)23-16/h3-10H,2H2,1H3
InChIKeyHIGQBYWQSGFTTR-UHFFFAOYSA-N
XLogP3.34
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
CID 234497
Benzothiazol-2-yl-methyl-[1-(4-phenoxy-butyl)-pyrrolidin-3-yl]-amine
CID 9951886
2-{4-[3-(1H-Tetrazol-5-yl)-propoxy]-phenoxymethyl}-benzothiazole
CID 14650373
2-(2,5-dimethyl-1H-pyrrol-1-yl)-6-methoxy-1,3-benzothiazole
CID 893954
1-(2-Phenoxyethylsulfanyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 1576577
2-[1-(4-Methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole
CID 2140203
2-[[[1-(2-Methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-1,3-benzothiazole
CID 2608648
2-[[1-(2-Ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2613788
6-[(2-Amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine
CID 765835
2-((Benzothiazol-2-ylmethyl)thio)-6-ethoxybenzothiazole
CID 2376813
6-Methoxy-2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-1,3-benzothiazole
CID 127041755
1-(Benzo[d]thiazol-2-yl)-n3-(3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1h-1,2,4-triazole-3,5-diamine
CID 24987311

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole (CID 2140191) is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole is CCOc1ccc(-n2nnnc2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole?
The InChIKey is HIGQBYWQSGFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-2-22-12-9-7-11(8-10-12)21-15(18-19-20-21)16-17-13-5-3-4-6-14(13)23-16/h3-10H,2H2,1H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole?
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole has a molecular weight of 323.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 2140191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).