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

C14H15N7OS — CID 51153622

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCCCCc1nnc(NC(=O)c2ccccc2-n2cnnn2)s1
InChIInChI=1S/C14H15N7OS/c1-2-3-8-12-17-18-14(23-12)16-13(22)10-6-4-5-7-11(10)21-9-15-19-20-21/h4-7,9H,2-3,8H2,1H3,(H,16,18,22)
InChIKeyAQIIFIRPSKBBTN-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.11
Rot. Bonds6

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide (PubChem CID 51153622) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
PubChem CID51153622
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
SMILESCCCCc1nnc(NC(=O)c2ccccc2-n2cnnn2)s1
InChIInChI=1S/C14H15N7OS/c1-2-3-8-12-17-18-14(23-12)16-13(22)10-6-4-5-7-11(10)21-9-15-19-20-21/h4-7,9H,2-3,8H2,1H3,(H,16,18,22)
InChIKeyAQIIFIRPSKBBTN-UHFFFAOYSA-N
XLogP2.11
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 26209796
2-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 2442002
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-chlorobenzoyl)benzamide
CID 46541850
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008810
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289611
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 31038872
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CID 24648214
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide (CID 51153622) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide is CCCCc1nnc(NC(=O)c2ccccc2-n2cnnn2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is AQIIFIRPSKBBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c1-2-3-8-12-17-18-14(23-12)16-13(22)10-6-4-5-7-11(10)21-9-15-19-20-21/h4-7,9H,2-3,8H2,1H3,(H,16,18,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 329.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51153622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).