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

C18H19N3OS — CID 26197141

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESCCCCc1nnc(NC(=O)Cc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H19N3OS/c1-2-3-8-17-20-21-18(23-17)19-16(22)12-13-9-10-14-6-4-5-7-15(14)11-13/h4-7,9-11H,2-3,8,12H2,1H3,(H,19,21,22)
InChIKeyOYARDGUKENFUEA-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.22
Rot. Bonds6

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide (PubChem CID 26197141) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
PubChem CID26197141
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESCCCCc1nnc(NC(=O)Cc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H19N3OS/c1-2-3-8-17-20-21-18(23-17)19-16(22)12-13-9-10-14-6-4-5-7-15(14)11-13/h4-7,9-11H,2-3,8,12H2,1H3,(H,19,21,22)
InChIKeyOYARDGUKENFUEA-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 18198073
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24648115
2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2208286
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-quinolin-8-ylacetamide
CID 51320684
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 7920328
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
N-(5-butyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 26197186
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804101
2-(4-phenylmethoxyphenyl)-N-[5-[4-[5-[[2-(4-phenylmethoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90183269
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90165478

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide (CID 26197141) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide is CCCCc1nnc(NC(=O)Cc2ccc3ccccc3c2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is OYARDGUKENFUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-3-8-17-20-21-18(23-17)19-16(22)12-13-9-10-14-6-4-5-7-15(14)11-13/h4-7,9-11H,2-3,8,12H2,1H3,(H,19,21,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 325.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 26197141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).