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

C15H19N3OS — CID 18198073

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCCCc1nnc(NC(=O)Cc2ccc(C)cc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-4-5-14-17-18-15(20-14)16-13(19)10-12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,16,18,19)
InChIKeyDFDZWOYZEAFUFJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.37
Rot. Bonds6

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 18198073) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID18198073
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
SMILESCCCCc1nnc(NC(=O)Cc2ccc(C)cc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-4-5-14-17-18-15(20-14)16-13(19)10-12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,16,18,19)
InChIKeyDFDZWOYZEAFUFJ-UHFFFAOYSA-N
XLogP3.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
methyl 5-[5-[[2-(4-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]pentanoate
CID 71534293
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 26197141
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 3929087
2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2208286
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
2-(4-chlorophenyl)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565335
ethyl N-[5-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 74982527
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51230110
2-(6-methyl-1-benzofuran-3-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209694
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 8918792

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide (CID 18198073) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide is CCCCc1nnc(NC(=O)Cc2ccc(C)cc2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is DFDZWOYZEAFUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-4-5-14-17-18-15(20-14)16-13(19)10-12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,16,18,19).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.37, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 18198073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).