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

C15H19N3O2S — CID 108801746

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
SMILESCCCCc1nnc(NC(=O)c2cccc(OCC)c2)s1
InChIInChI=1S/C15H19N3O2S/c1-3-5-9-13-17-18-15(21-13)16-14(19)11-7-6-8-12(10-11)20-4-2/h6-8,10H,3-5,9H2,1-2H3,(H,16,18,19)
InChIKeyAZOPMKJMKZTBEU-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.53
Rot. Bonds7

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide (PubChem CID 108801746) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
PubChem CID108801746
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide
SMILESCCCCc1nnc(NC(=O)c2cccc(OCC)c2)s1
InChIInChI=1S/C15H19N3O2S/c1-3-5-9-13-17-18-15(21-13)16-14(19)11-7-6-8-12(10-11)20-4-2/h6-8,10H,3-5,9H2,1-2H3,(H,16,18,19)
InChIKeyAZOPMKJMKZTBEU-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
3-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319770
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339
3,4,5-triethoxy-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3749207
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
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

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide (CID 108801746) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide is CCCCc1nnc(NC(=O)c2cccc(OCC)c2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide?
The InChIKey is AZOPMKJMKZTBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-5-9-13-17-18-15(21-13)16-14(19)11-7-6-8-12(10-11)20-4-2/h6-8,10H,3-5,9H2,1-2H3,(H,16,18,19).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide has a molecular weight of 305.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-ethoxybenzamide is sourced from PubChem (CID 108801746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).