4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C10H7N7OS — CID 30550778

IUPAC4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H7N7OS/c18-9(13-10-14-12-6-19-10)7-1-3-8(4-2-7)17-5-11-15-16-17/h1-6H,(H,13,14,18)
InChIKeySUEXZIZWZMTPBI-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.77
Rot. Bonds3

About 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide

4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 30550778) has the molecular formula C10H7N7OS and a molecular weight of 273.28 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID30550778
Molecular FormulaC10H7N7OS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C10H7N7OS/c18-9(13-10-14-12-6-19-10)7-1-3-8(4-2-7)17-5-11-15-16-17/h1-6H,(H,13,14,18)
InChIKeySUEXZIZWZMTPBI-UHFFFAOYSA-N
XLogP0.77
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 30550778) is 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is SUEXZIZWZMTPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7OS/c18-9(13-10-14-12-6-19-10)7-1-3-8(4-2-7)17-5-11-15-16-17/h1-6H,(H,13,14,18).
What are the key properties of 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 273.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 30550778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).