2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole

C10H8N6OS — CID 11086491

IUPAC2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(-c3nn[nH]n3)s2)cc1
InChIInChI=1S/C10H8N6OS/c1-17-7-4-2-6(3-5-7)9-13-14-10(18-9)8-11-15-16-12-8/h2-5H,1H3,(H,11,12,15,16)
InChIKeyYPQHPYWFTWHTBB-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole

2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole (PubChem CID 11086491) has the molecular formula C10H8N6OS and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole
PubChem CID11086491
Molecular FormulaC10H8N6OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nnc(-c3nn[nH]n3)s2)cc1
InChIInChI=1S/C10H8N6OS/c1-17-7-4-2-6(3-5-7)9-13-14-10(18-9)8-11-15-16-12-8/h2-5H,1H3,(H,11,12,15,16)
InChIKeyYPQHPYWFTWHTBB-UHFFFAOYSA-N
XLogP1.39
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole (CID 11086491) is 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole is COc1ccc(-c2nnc(-c3nn[nH]n3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole?
The InChIKey is YPQHPYWFTWHTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS/c1-17-7-4-2-6(3-5-7)9-13-14-10(18-9)8-11-15-16-12-8/h2-5H,1H3,(H,11,12,15,16).
What are the key properties of 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole?
2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole has a molecular weight of 260.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(2H-tetrazol-5-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 11086491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).