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

C15H17N7OS — CID 26209796

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1
InChIInChI=1S/C15H17N7OS/c1-2-3-4-8-13-18-19-15(24-13)17-14(23)11-6-5-7-12(9-11)22-10-16-20-21-22/h5-7,9-10H,2-4,8H2,1H3,(H,17,19,23)
InChIKeyDHBJGBSASQYGPG-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.50
Rot. Bonds7

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

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 26209796) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID26209796
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1
InChIInChI=1S/C15H17N7OS/c1-2-3-4-8-13-18-19-15(24-13)17-14(23)11-6-5-7-12(9-11)22-10-16-20-21-22/h5-7,9-10H,2-4,8H2,1H3,(H,17,19,23)
InChIKeyDHBJGBSASQYGPG-UHFFFAOYSA-N
XLogP2.50
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(tetrazol-1-yl)benzamide
CID 51153622
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
3-(methylsulfinylmethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551033
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
CID 108801746
3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226832
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 5024814
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224

Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide (CID 26209796) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide is CCCCCc1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is DHBJGBSASQYGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-2-3-4-8-13-18-19-15(24-13)17-14(23)11-6-5-7-12(9-11)22-10-16-20-21-22/h5-7,9-10H,2-4,8H2,1H3,(H,17,19,23).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 343.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 26209796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).