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

C15H11N5OS — CID 2140203

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole
SMILESCOc1ccc(-n2nnnc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H11N5OS/c1-21-11-8-6-10(7-9-11)20-14(17-18-19-20)15-16-12-4-2-3-5-13(12)22-15/h2-9H,1H3
InChIKeyPFUAURRVMOUEGC-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.95
Rot. Bonds3

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

2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole (PubChem CID 2140203) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole
PubChem CID2140203
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole
SMILESCOc1ccc(-n2nnnc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H11N5OS/c1-21-11-8-6-10(7-9-11)20-14(17-18-19-20)15-16-12-4-2-3-5-13(12)22-15/h2-9H,1H3
InChIKeyPFUAURRVMOUEGC-UHFFFAOYSA-N
XLogP2.95
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 220926
Benzenamine, 4-(2-(6-methoxy-2-benzothiazolyl)diazenyl)-N,N-dimethyl-
CID 77390
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
2-[1-(4-Ethoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole
CID 2140191
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2488514
2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 2516206
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-Methoxy-N-phenylbenzo[d]thiazol-2-amine
CID 6622235
6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1555586

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole (CID 2140203) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole is COc1ccc(-n2nnnc2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole?
The InChIKey is PFUAURRVMOUEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-21-11-8-6-10(7-9-11)20-14(17-18-19-20)15-16-12-4-2-3-5-13(12)22-15/h2-9H,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole has a molecular weight of 309.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 2140203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).