N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide

C12H11N7OS — CID 858429

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1
InChIInChI=1S/C12H11N7OS/c1-2-10-15-16-12(21-10)14-11(20)8-4-3-5-9(6-8)19-7-13-17-18-19/h3-7H,2H2,1H3,(H,14,16,20)
InChIKeyIMHYCQPEJAFRHN-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.33
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 858429) has the molecular formula C12H11N7OS and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID858429
Molecular FormulaC12H11N7OS
Molecular Weight301.34 g/mol
Exact Mass301.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1
InChIInChI=1S/C12H11N7OS/c1-2-10-15-16-12(21-10)14-11(20)8-4-3-5-9(6-8)19-7-13-17-18-19/h3-7H,2H2,1H3,(H,14,16,20)
InChIKeyIMHYCQPEJAFRHN-UHFFFAOYSA-N
XLogP1.33
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide (CID 858429) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide is CCc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is IMHYCQPEJAFRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7OS/c1-2-10-15-16-12(21-10)14-11(20)8-4-3-5-9(6-8)19-7-13-17-18-19/h3-7H,2H2,1H3,(H,14,16,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 301.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 858429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).