N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C16H18ClN3OS — CID 138034935

IUPACN-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(CC(=O)NCC2(c3ccccc3Cl)CCC2)s1
InChIInChI=1S/C16H18ClN3OS/c1-11-19-20-15(22-11)9-14(21)18-10-16(7-4-8-16)12-5-2-3-6-13(12)17/h2-3,5-6H,4,7-10H2,1H3,(H,18,21)
InChIKeyQBXLRACZDDYHKJ-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.28
Rot. Bonds5

About N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 138034935) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID138034935
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC NameN-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(CC(=O)NCC2(c3ccccc3Cl)CCC2)s1
InChIInChI=1S/C16H18ClN3OS/c1-11-19-20-15(22-11)9-14(21)18-10-16(7-4-8-16)12-5-2-3-6-13(12)17/h2-3,5-6H,4,7-10H2,1H3,(H,18,21)
InChIKeyQBXLRACZDDYHKJ-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 138034935) is N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(CC(=O)NCC2(c3ccccc3Cl)CCC2)s1.
What is the InChIKey of N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QBXLRACZDDYHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-11-19-20-15(22-11)9-14(21)18-10-16(7-4-8-16)12-5-2-3-6-13(12)17/h2-3,5-6H,4,7-10H2,1H3,(H,18,21).
What are the key properties of N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 335.86 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 138034935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).